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PDB: 37 results

4OYB
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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
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
4OYI
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Human solAC Complexed with (4-Amino-furazan-3-yl)-phenyl-methanone
Descriptor: (4-azanyl-1,2,5-oxadiazol-3-yl)-phenyl-methanone, 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 (1.7 Å)
Cite: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
Descriptor: Adenylate cyclase type 10, CHLORIDE ION, GLYCEROL
Authors:Vinkovic, M.
Deposit date:2014-02-13
Release date:2014-04-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: (4-azanyl-1,2,5-oxadiazol-3-yl)-(3-methoxyphenyl)methanone, 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 (1.7 Å)
Cite:Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
4CLF
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BU of 4clf by Molmil
Crystal structure of human soluble Adenylyl Cyclase (Apo form)
Descriptor: ACETATE ION, ADENYLATE CYCLASE TYPE 10, GLYCEROL
Authors:Kleinboelting, S, Moniot, S, Weyand, M, Steegborn, C.
Deposit date:2014-01-14
Release date:2014-03-05
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (1.7 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
4CLL
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BU of 4cll by Molmil
Crystal structure of human soluble Adenylyl Cyclase in complex with bicarbonate
Descriptor: 1,2-ETHANEDIOL, ADENYLATE CYCLASE TYPE 10, BICARBONATE 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 (1.7 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
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
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
5IV4
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BU of 5iv4 by Molmil
Crystal structure of the human soluble adenylyl cyclase in complex with the allosteric inhibitor LRE1
Descriptor: 1,2-ETHANEDIOL, 6-chloro-N~4~-cyclopropyl-N~4~-[(thiophen-2-yl)methyl]pyrimidine-2,4-diamine, ACETATE ION, ...
Authors:Kleinboelting, S, Steegborn, C.
Deposit date:2016-03-18
Release date:2016-08-17
Last modified:2022-11-30
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery of LRE1 as a specific and allosteric inhibitor of soluble adenylyl cyclase.
Nat.Chem.Biol., 12, 2016
4CM2
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BU of 4cm2 by Molmil
Crystal structure of human soluble Adenylyl Cyclase soaked with bisulfite
Descriptor: ADENYLATE CYCLASE TYPE 10, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
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 (1.8 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
8B75
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BU of 8b75 by Molmil
CRYSTAL STRUCTURE OF HUMAN SOLUBLE ADENYLYL CYCLASE IN COMPLEX WITH THE INHIBITOR TDI-011861
Descriptor: Adenylate cyclase type 10, [(3~{R})-4-[2-[2-[[3-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-1-[bis(fluoranyl)methyl]pyrazol-4-yl]methyl]phenoxy]ethyl]morpholin-3-yl]methanol
Authors:Steegborn, C, Kehr, M.
Deposit date:2022-09-28
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Design, Synthesis, and Pharmacological Evaluation of Second-Generation Soluble Adenylyl Cyclase (sAC, ADCY10) Inhibitors with Slow Dissociation Rates.
J.Med.Chem., 65, 2022
4CLS
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BU of 4cls by Molmil
Crystal structure of human soluble Adenylyl Cyclase with Pyrophosphate
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ADENYLATE CYCLASE TYPE 10, ...
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 (1.85 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
5IV3
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BU of 5iv3 by Molmil
Crystal structure of human soluble adenylyl cyclase in complex with alpha,beta-methyleneadenosine-5'-triphosphate and the allosteric inhibitor LRE1
Descriptor: 1,2-ETHANEDIOL, 6-chloro-N~4~-cyclopropyl-N~4~-[(thiophen-2-yl)methyl]pyrimidine-2,4-diamine, ACETATE ION, ...
Authors:Kleinboelting, S, Steegborn, C.
Deposit date:2016-03-18
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Discovery of LRE1 as a specific and allosteric inhibitor of soluble adenylyl cyclase.
Nat.Chem.Biol., 12, 2016
4OYX
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BU of 4oyx by Molmil
Human solAC Complexed with AMPCPP
Descriptor: Adenylate cyclase type 10, CALCIUM ION, CHLORIDE ION, ...
Authors:Vinkovic, M.
Deposit date:2014-02-13
Release date:2014-04-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
4CLU
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BU of 4clu by Molmil
Crystal structure of human soluble Adenylyl Cyclase with pyrophosphate
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ADENYLATE CYCLASE TYPE 10, ...
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 (1.9 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
8CO7
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BU of 8co7 by Molmil
Crystal structure of human soluble adenylyl cyclase (sAC) in complex with inhibitor TDI-09066
Descriptor: 1,2-ETHANEDIOL, 4-chloranyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine, ACETATE ION, ...
Authors:Steegborn, C.
Deposit date:2023-02-27
Release date:2024-01-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
4UST
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BU of 4ust by Molmil
Crystal structure of human soluble Adenylyl Cyclase with pyrophosphate resulting from soaking with GTP and Magnesium
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, 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 (1.9 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
4CLP
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BU of 4clp by Molmil
Crystal structure of human soluble Adenylyl Cyclase complex with adenosine-3',5'-cyclic-monophosphate
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, ...
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 (1.9 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
4CLZ
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BU of 4clz by Molmil
Crystal structure of human soluble Adenylyl Cyclase with Inhibitor 4, 4'-Diisothiocyano-2,2'-stilbenedisulfonic acid
Descriptor: 1,2-ETHANEDIOL, 4,4'-Diisothiocyano-2,2'-stilbenedisulfonic acid, ACETATE 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 (1.9 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
4USU
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BU of 4usu 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, Steegborn, C.
Deposit date:2014-07-13
Release date:2014-07-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 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
8IL7
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BU of 8il7 by Molmil
Structure of human soluble Adenylyl Cyclase in complex with lactate
Descriptor: (2S)-2-HYDROXYPROPANOIC ACID, Adenylate cyclase type 10, GLYCEROL
Authors:Li, Q.J, Li, Z.L, Gao, P.
Deposit date:2023-03-02
Release date:2023-07-26
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of human soluble Adenylyl Cyclase in complex with lactate
To Be Published
4CLT
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BU of 4clt by Molmil
Crystal structure of human soluble Adenylyl Cyclase with adenosine-3', 5'-cyclic-monophosphate and pyrophosphate
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, ADENYLATE CYCLASE TYPE 10, ...
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 (1.95 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
4USV
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BU of 4usv by Molmil
Crystal structure of human soluble Adenylyl Cyclase with pyrophosphate resulting from soaking with ATP and Calcium
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, 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 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
8CNH
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BU of 8cnh by Molmil
Crystal structure of human soluble adenylyl cyclase (sAC) in complex with inhibitor TDI-10512
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Adenylate cyclase type 10, ...
Authors:Steegborn, C.
Deposit date:2023-02-23
Release date:2023-04-26
Last modified:2023-05-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023

 

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