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4B6F
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BU of 4b6f by Molmil
Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function
分子名称: (4-phenoxyphenyl)methylazanium, NON-STRUCTURAL PROTEIN 4A, SERINE PROTEASE NS3, ...
著者Saalau-Bethell, S.M, Woodhead, A.J, Chessari, G, Carr, M.G, Coyle, J, Graham, B, Hiscock, S.D, Murray, C.W, Pathuri, P, Rich, S.J, Richardson, C.J, Williams, P.A, Jhoti, H.
登録日2012-08-09
公開日2012-10-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Discovery of an Allosteric Mechanism for the Regulation of Hcv Ns3 Protein Function.
Nat.Chem.Biol., 8, 2012
4B74
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BU of 4b74 by Molmil
Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function
分子名称: (2S)-4-[(2-ammonioethyl)amino]-N-[(1R)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]-4-oxobutan-2-aminium, NON-STRUCTURAL PROTEIN 4A, SERINE PROTEASE NS3
著者Saalau-Bethell, S.M, Woodhead, A.J, Chessari, G, Carr, M.G, Coyle, J, Graham, B, Hiscock, S.D, Murray, C.W, Pathuri, P, Rich, S.J, Richardson, C.J, Williams, P.A, Jhoti, H.
登録日2012-08-16
公開日2012-10-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Discovery of an Allosteric Mechanism for the Regulation of Hcv Ns3 Protein Function
Nat.Chem.Biol., 8, 2012
4B75
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BU of 4b75 by Molmil
Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function
分子名称: (2S)-4-amino-N-[(1R)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]-4-oxobutan-2-aminium, NON-STRUCTURAL PROTEIN 4A, SERINE PROTEASE NS3
著者Saalau-Bethell, S.M, Woodhead, A.J, Chessari, G, Carr, M.G, Coyle, J, Graham, B, Hiscock, S.D, Murray, C.W, Pathuri, P, Rich, S.J, Richardson, C.J, Williams, P.A, Jhoti, H.
登録日2012-08-16
公開日2012-10-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Discovery of an Allosteric Mechanism for the Regulation of Hcv Ns3 Protein Function.
Nat.Chem.Biol., 8, 2012
4B76
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BU of 4b76 by Molmil
Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function
分子名称: NON-STRUCTURAL PROTEIN 4A, SERINE PROTEASE NS3, [2,4-bis(fluoranyl)-3-phenoxy-phenyl]methylazanium
著者Saalau-Bethell, S.M, Woodhead, A.J, Chessari, G, Carr, M.G, Coyle, J, Graham, B, Hiscock, S.D, Murray, C.W, Pathuri, P, Rich, S.J, Richardson, C.J, Williams, P.A, Jhoti, H.
登録日2012-08-16
公開日2012-10-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Discovery of an Allosteric Mechanism for the Regulation of Hcv Ns3 Protein Function.
Nat.Chem.Biol., 8, 2012
4B71
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BU of 4b71 by Molmil
Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function
分子名称: (1R)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propan-1-aminium, NON-STRUCTURAL PROTEIN 4A, SERINE PROTEASE NS3
著者Saalau-Bethell, S.M, Woodhead, A.J, Chessari, G, Carr, M.G, Coyle, J, Graham, B, Hiscock, S.D, Murray, C.W, Pathuri, P, Rich, S.J, Richardson, C.J, Williams, P.A, Jhoti, H.
登録日2012-08-16
公開日2012-10-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of an Allosteric Mechanism for the Regulation of Hcv Ns3 Protein Function.
Nat.Chem.Biol., 8, 2012
4B6E
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BU of 4b6e by Molmil
Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function
分子名称: 1H-indazol-7-amine, NON-STRUCTURAL PROTEIN 4A, SERINE PROTEASE NS3, ...
著者Saalau-Bethell, S.M, Woodhead, A.J, Chessari, G, Carr, M.G, Coyle, J, Graham, B, Hiscock, S.D, Murray, C.W, Pathuri, P, Rich, S.J, Richardson, C.J, Williams, P.A, Jhoti, H.
登録日2012-08-09
公開日2012-10-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Discovery of an Allosteric Mechanism for the Regulation of Hcv Ns3 Protein Function.
Nat.Chem.Biol., 8, 2012
4B73
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BU of 4b73 by Molmil
Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function
分子名称: (2S)-4-amino-N-[(1R)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]-4-oxobutan-2-aminium, NON-STRUCTURAL PROTEIN 4A, SERINE PROTEASE NS3
著者Saalau-Bethell, S.M, Woodhead, A.J, Chessari, G, Carr, M.G, Coyle, J, Graham, B, Hiscock, S.D, Murray, C.W, Pathuri, P, Rich, S.J, Richardson, C.J, Williams, P.A, Jhoti, H.
登録日2012-08-16
公開日2012-10-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of an Allosteric Mechanism for the Regulation of Hcv Ns3 Protein Function.
Nat.Chem.Biol., 8, 2012
4OYI
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BU of 4oyi by Molmil
Human solAC Complexed with (4-Amino-furazan-3-yl)-phenyl-methanone
分子名称: (4-azanyl-1,2,5-oxadiazol-3-yl)-phenyl-methanone, Adenylate cyclase type 10, GLYCEROL
著者Vinkovic, M.
登録日2014-02-12
公開日2014-04-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
4OYW
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BU of 4oyw by Molmil
Crystal Structure of Human Soluble Adenylate Cyclase
分子名称: Adenylate cyclase type 10, CHLORIDE ION, GLYCEROL
著者Vinkovic, M.
登録日2014-02-13
公開日2014-04-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
4OYM
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BU of 4oym by Molmil
Human solAC Complexed with (4-Amino-furazan-3-yl)-(3-methoxy-phenyl)-methanone
分子名称: (4-azanyl-1,2,5-oxadiazol-3-yl)-(3-methoxyphenyl)methanone, Adenylate cyclase type 10, GLYCEROL
著者Vinkovic, M.
登録日2014-02-12
公開日2014-04-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
4OYX
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BU of 4oyx by Molmil
Human solAC Complexed with AMPCPP
分子名称: Adenylate cyclase type 10, CALCIUM ION, CHLORIDE ION, ...
著者Vinkovic, M.
登録日2014-02-13
公開日2014-04-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
4OYA
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BU of 4oya by Molmil
Human solAC Complexed with (4-Aminofurazan-3-yl)-[3-(1H-benzoimidazol-2-ylmethoxy)phenyl]methanone
分子名称: (4-azanyl-1,2,5-oxadiazol-3-yl)-[3-(1H-benzimidazol-2-ylmethoxy)phenyl]methanone, Adenylate cyclase type 10, GLYCEROL
著者Vinkovic, M.
登録日2014-02-11
公開日2014-04-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
4OYZ
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BU of 4oyz by Molmil
Human solAC Complexed with Bicarbonate
分子名称: Adenylate cyclase type 10, BICARBONATE ION, GLYCEROL
著者Vinkovic, M.
登録日2014-02-13
公開日2014-04-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
4OYB
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BU of 4oyb by Molmil
Crystal Structure Analysis of the solAC
分子名称: Adenylate cyclase type 10, GLYCEROL, ethyl 2-[3-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonyl]phenoxy]ethanoate
著者Vinkovic, M.
登録日2014-02-11
公開日2014-04-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
4OYO
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BU of 4oyo by Molmil
Human solAC Complexed with 4-(2-Chlorophenyl)-3-methyl-1H-pyrazole
分子名称: 4-(2-chlorophenyl)-5-methyl-1H-pyrazole, Adenylate cyclase type 10, GLYCEROL
著者Vinkovic, M.
登録日2014-02-12
公開日2014-04-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
4OZ3
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BU of 4oz3 by Molmil
Human solAC Complexed with 4-phenyl-3-(trifluoromethyl)-1H-pyrazole
分子名称: 4-phenyl-3-(trifluoromethyl)-1H-pyrazole, Adenylate cyclase type 10, GLYCEROL
著者Vinkovic, M.
登録日2014-02-13
公開日2014-04-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
4OYP
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BU of 4oyp by Molmil
Human solAC Complexed with 1-Benzofuran-2-carboxylic acid
分子名称: 1-benzofuran-2-carboxylic acid, Adenylate cyclase type 10, CHLORIDE ION
著者Vinkovic, M.
登録日2014-02-12
公開日2014-04-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
4OZ2
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BU of 4oz2 by Molmil
Human solAC Complexed with 4-(4-Fluorophenyl)-3-methyl-1H-pyrazole
分子名称: 4-(4-fluorophenyl)-3-methyl-1H-pyrazole, Adenylate cyclase type 10, CHLORIDE ION, ...
著者Vinkovic, M.
登録日2014-02-13
公開日2014-04-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
5FPS
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BU of 5fps by Molmil
Structure of hepatitis C virus (HCV) full-length NS3 complex with small-molecule ligand 3-aminobenzene-1,2-dicarboxylic acid (AT1246) in an alternate binding site.
分子名称: 3-AMINOBENZENE-1,2-DICARBOXYLIC ACID, HEPATITIS C VIRUS FULL-LENGTH NS3 COMPLEX
著者Jhoti, H, Ludlow, R.F, Saini, H.K, Tickle, I.J, Verdonk, M, Williams, P.A.
登録日2015-12-02
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
5FPT
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BU of 5fpt by Molmil
Structure of hepatitis C virus (HCV) full-length NS3 complex with small-molecule ligand 2-(1-methyl-1H-indol-3-yl)acetic acid (AT3437) in an alternate binding site.
分子名称: (1-methyl-1H-indol-3-yl)acetic acid, HEPATITIS C VIRUS FULL-LENGTH NS3 COMPLEX
著者Jhoti, H, Ludlow, R.F, Saini, H.K, Tickle, I.J, Verdonk, M, Pathuri, P, Williams, P.A.
登録日2015-12-02
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
5FPY
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BU of 5fpy by Molmil
Structure of hepatitis C virus (HCV) full-length NS3 complex with small-molecule ligand 5-bromo-1-methyl-1H-indole-2-carboxylic acid (AT21457) in an alternate binding site.
分子名称: 5-bromo-1-methyl-1H-indole-2-carboxylic acid, SERINE PROTEASE NS3
著者Davies, T.G, Jhoti, H, Ludlow, R.F, Saini, H.K, Tickle, I.J, Verdonk, M.
登録日2015-12-03
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015

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