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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
Descriptor: (4-azanyl-1,2,5-oxadiazol-3-yl)-[3-(1H-benzimidazol-2-ylmethoxy)phenyl]methanone, Adenylate cyclase type 10, GLYCEROL
Authors:Vinkovic, M.
Deposit date:2014-02-11
Release date:2014-04-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.03 Å)
Cite: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
Descriptor: Adenylate cyclase type 10, BICARBONATE ION, GLYCEROL
Authors:Vinkovic, M.
Deposit date:2014-02-13
Release date:2014-04-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.74 Å)
Cite: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
Descriptor: Adenylate cyclase type 10, GLYCEROL, ethyl 2-[3-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonyl]phenoxy]ethanoate
Authors:Vinkovic, M.
Deposit date:2014-02-11
Release date:2014-04-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 4-(2-chlorophenyl)-5-methyl-1H-pyrazole, Adenylate cyclase type 10, GLYCEROL
Authors:Vinkovic, M.
Deposit date:2014-02-12
Release date:2014-04-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: 4-phenyl-3-(trifluoromethyl)-1H-pyrazole, Adenylate cyclase type 10, GLYCEROL
Authors:Vinkovic, M.
Deposit date:2014-02-13
Release date:2014-04-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 1-benzofuran-2-carboxylic acid, Adenylate cyclase type 10, CHLORIDE ION
Authors:Vinkovic, M.
Deposit date:2014-02-12
Release date:2014-04-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.28 Å)
Cite: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
Descriptor: 4-(4-fluorophenyl)-3-methyl-1H-pyrazole, Adenylate cyclase type 10, CHLORIDE ION, ...
Authors:Vinkovic, M.
Deposit date:2014-02-13
Release date:2014-04-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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.
Descriptor: 3-AMINOBENZENE-1,2-DICARBOXYLIC ACID, HEPATITIS C VIRUS FULL-LENGTH NS3 COMPLEX
Authors:Jhoti, H, Ludlow, R.F, Saini, H.K, Tickle, I.J, Verdonk, M, Williams, P.A.
Deposit date:2015-12-02
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.68 Å)
Cite: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.
Descriptor: 5-bromo-1-methyl-1H-indole-2-carboxylic acid, SERINE PROTEASE NS3
Authors:Davies, T.G, Jhoti, H, Ludlow, R.F, Saini, H.K, Tickle, I.J, Verdonk, M.
Deposit date:2015-12-03
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.52 Å)
Cite: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.
Descriptor: (1-methyl-1H-indol-3-yl)acetic acid, HEPATITIS C VIRUS FULL-LENGTH NS3 COMPLEX
Authors:Jhoti, H, Ludlow, R.F, Saini, H.K, Tickle, I.J, Verdonk, M, Pathuri, P, Williams, P.A.
Deposit date:2015-12-02
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015

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