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PDB: 37 results

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
4USW
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BU of 4usw by Molmil
Crystal structure of human soluble Adenylyl Cyclase with ATP
Descriptor: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ADENYLATE CYCLASE TYPE 10, ...
Authors:Kleinboelting, S, Steegborn, C.
Deposit date:2014-07-13
Release date:2014-07-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Analysis of Human Soluble Adenylyl Cyclase and Crystal Structures of its Nucleotide Complexes -Implications for Cyclase Catalysis and Evolution.
FEBS J., 281, 2014
4CLY
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BU of 4cly by Molmil
Crystal structure of human soluble Adenylyl Cyclase soaked with biselenite
Descriptor: 1,2-ETHANEDIOL, ADENYLATE CYCLASE TYPE 10, BISELENITE ION, ...
Authors:Kleinboelting, S, Weyand, M, Steegborn, C.
Deposit date:2014-01-15
Release date:2014-03-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structures of Human Soluble Adenylyl Cyclase Reveal Mechanisms of Catalysis and of its Activation Through Bicarbonate.
Proc.Natl.Acad.Sci.USA, 111, 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
8COJ
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BU of 8coj by Molmil
Crystal structure of human soluble adenylyl cyclase catalytic domain in complex with the inhibitor TDI-10228
Descriptor: 1,2-ETHANEDIOL, 4-chloranyl-6-[4-[(3-fluorophenyl)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-amine, ACETATE ION, ...
Authors:Steegborn, C, Fushimi, M.
Deposit date:2023-02-28
Release date:2023-04-26
Last modified:2023-05-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
8COT
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BU of 8cot by Molmil
Complex of human soluble adenylyl cyclase 10 catalytic core with inhibitor TDI-10962
Descriptor: 1,2-ETHANEDIOL, 2-(dimethylamino)ethyl 5-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-2-methyl-4-(phenylmethyl)pyrazole-3-carboxylate, ACETATE ION, ...
Authors:Steegborn, C, Fushimi, M.
Deposit date:2023-02-28
Release date:2023-04-26
Last modified:2023-05-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
4CLW
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BU of 4clw by Molmil
Crystal structure of human soluble Adenylyl Cyclase in complex with alpha,beta-methyleneadenosine-5'-triphosphate soaked with bisulfite
Descriptor: 1,2-ETHANEDIOL, ADENYLATE CYCLASE TYPE 10, CALCIUM ION, ...
Authors:Kleinboelting, S, Weyand, M, Steegborn, C.
Deposit date:2014-01-15
Release date:2014-03-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structures of Human Soluble Adenylyl Cyclase Reveal Mechanisms of Catalysis and of its Activation Through Bicarbonate.
Proc.Natl.Acad.Sci.USA, 111, 2014
7OVD
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BU of 7ovd by Molmil
Human soluble adenylyl cyclase in complex with the inhibitor TDI10229
Descriptor: 1,2-ETHANEDIOL, 4-chloranyl-6-[1,5-dimethyl-4-(phenylmethyl)pyrazol-3-yl]pyrimidin-2-amine, ACETATE ION, ...
Authors:Steegborn, C, Quast, J.
Deposit date:2021-06-14
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of TDI-10229: A Potent and Orally Bioavailable Inhibitor of Soluble Adenylyl Cyclase (sAC, ADCY10).
Acs Med.Chem.Lett., 12, 2021
4CLK
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BU of 4clk by Molmil
Crystal structure of human soluble Adenylyl Cyclase in complex with alpha,beta-methyleneadenosine-5'-triphosphate
Descriptor: 1,2-ETHANEDIOL, ADENYLATE CYCLASE TYPE 10, CALCIUM ION, ...
Authors:Kleinboelting, S, Weyand, M, Steegborn, C.
Deposit date:2014-01-15
Release date:2014-03-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structures of Human Soluble Adenylyl Cyclase Reveal Mechanisms of Catalysis and of its Activation Through Bicarbonate.
Proc.Natl.Acad.Sci.USA, 111, 2014
5D0R
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BU of 5d0r by Molmil
Crystal structure of human soluble Adenylyl Cyclase with the inhibitor bithionol
Descriptor: 1,2-ETHANEDIOL, 2,2'-sulfanediylbis(4,6-dichlorophenol), ACETATE ION, ...
Authors:Kleinboelting, S, Steegborn, C.
Deposit date:2015-08-03
Release date:2016-03-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Bithionol Potently Inhibits Human Soluble Adenylyl Cyclase through Binding to the Allosteric Activator Site.
J.Biol.Chem., 291, 2016
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
4CM0
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BU of 4cm0 by Molmil
Crystal structure of human soluble Adenylyl Cyclase with alpha,beta- methyleneadenosine-5'-triphosphate soaked with bicarbonate
Descriptor: CALCIUM ION, CHLORIDE ION, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Kleinboelting, S, Weyand, M, Steegborn, C.
Deposit date:2014-01-15
Release date:2014-03-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal Structures of Human Soluble Adenylyl Cyclase Reveal Mechanisms of Catalysis and of its Activation Through Bicarbonate.
Proc.Natl.Acad.Sci.USA, 111, 2014
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