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2BW7
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BU of 2bw7 by Molmil
A novel mechanism for adenylyl cyclase inhibition from the crystal structure of its complex with catechol estrogen
分子名称: 2,3,17BETA-TRIHYDROXY-1,3,5(10)-ESTRATRIENE, ADENYLATE CYCLASE, CALCIUM ION, ...
著者Steegborn, C, Litvin, T.N, Hess, K.C, Capper, A.B, Taussig, R, Buck, J, Levin, L.R, Wu, H.
登録日2005-07-12
公開日2005-07-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A Novel Mechanism for Adenylyl Cyclase Inhibition from the Crystal Structure of its Complex with Catechol Estrogen
J.Biol.Chem., 280, 2005
1WC5
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BU of 1wc5 by Molmil
Soluble adenylyl cyclase CyaC from S. platensis in complex with alpha, beta-methylene-ATP in presence of bicarbonate
分子名称: ADENYLATE CYCLASE, CALCIUM ION, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
著者Steegborn, C, Litvin, T.N, Levin, L.R, Buck, J, Wu, H.
登録日2004-11-08
公開日2004-12-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Bicarbonate Activation of Adenylyl Cyclase Via Promotion of Catalytic Active Site Closure and Metal Recruitment
Nat.Struct.Mol.Biol., 12, 2005
1WC4
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BU of 1wc4 by Molmil
Soluble adenylyl cyclase CyaC from S. platensis in complex with alpha, beta-methylene-ATP and Europium
分子名称: ADENYLATE CYCLASE, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, EUROPIUM (III) ION
著者Steegborn, C, Litvin, T.N, Levin, L.R, Buck, J, Wu, H.
登録日2004-11-08
公開日2004-12-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Bicarbonate Activation of Adenylyl Cyclase Via Promotion of Catalytic Active Site Closure and Metal Recruitment
Nat.Struct.Mol.Biol., 12, 2005
1WC3
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BU of 1wc3 by Molmil
Soluble adenylyl cyclase CyaC from S. platensis in complex with alpha, beta-methylene-ATP and Strontium
分子名称: ADENYLATE CYCLASE, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, STRONTIUM ION
著者Steegborn, C, Litvin, T.N, Levin, L.R, Buck, J, Wu, H.
登録日2004-11-08
公開日2004-12-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Bicarbonate Activation of Adenylyl Cyclase Via Promotion of Catalytic Active Site Closure and Metal Recruitment
Nat.Struct.Mol.Biol., 12, 2005
1WC0
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BU of 1wc0 by Molmil
Soluble adenylyl cyclase CyaC from S. platensis in complex with alpha, beta-methylene-ATP
分子名称: ADENYLATE CYCLASE, CALCIUM ION, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER
著者Steegborn, C, Litvin, T.N, Levin, L.R, Buck, J, Wu, H.
登録日2004-11-05
公開日2004-12-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Bicarbonate Activation of Adenylyl Cyclase Via Promotion of Catalytic Active Site Closure and Metal Recruitment
Nat.Struct.Mol.Biol., 12, 2005
1WC1
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BU of 1wc1 by Molmil
Soluble adenylyl cyclase CyaC from S. platensis in complex with Rp- ATPalphaS
分子名称: ADENOSINE-5'-RP-ALPHA-THIO-TRIPHOSPHATE, ADENYLATE CYCLASE, MAGNESIUM ION
著者Steegborn, C, Litvin, T.N, Levin, L.R, Buck, J, Wu, H.
登録日2004-11-06
公開日2004-12-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Bicarbonate Activation of Adenylyl Cyclase Via Promotion of Catalytic Active Site Closure and Metal Recruitment
Nat.Struct.Mol.Biol., 12, 2005
1WC6
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BU of 1wc6 by Molmil
Soluble adenylyl cyclase CyaC from S. platensis in complex with Rp- ATPalphaS in presence of bicarbonate
分子名称: ADENOSINE-5'-RP-ALPHA-THIO-TRIPHOSPHATE, ADENYLATE CYCLASE, MAGNESIUM ION
著者Steegborn, C, Litvin, T.N, Levin, L.R, Buck, J, Wu, H.
登録日2004-11-08
公開日2004-12-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Bicarbonate Activation of Adenylyl Cyclase Via Promotion of Catalytic Active Site Closure and Metal Recruitment
Nat.Struct.Mol.Biol., 12, 2005
7OVD
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BU of 7ovd by Molmil
Human soluble adenylyl cyclase in complex with the inhibitor TDI10229
分子名称: 1,2-ETHANEDIOL, 4-chloranyl-6-[1,5-dimethyl-4-(phenylmethyl)pyrazol-3-yl]pyrimidin-2-amine, ACETATE ION, ...
著者Steegborn, C, Quast, J.
登録日2021-06-14
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of TDI-10229: A Potent and Orally Bioavailable Inhibitor of Soluble Adenylyl Cyclase (sAC, ADCY10).
Acs Med.Chem.Lett., 12, 2021
8CO7
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BU of 8co7 by Molmil
Crystal structure of human soluble adenylyl cyclase (sAC) in complex with inhibitor TDI-09066
分子名称: 1,2-ETHANEDIOL, 4-chloranyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine, ACETATE ION, ...
著者Steegborn, C.
登録日2023-02-27
公開日2024-01-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
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
分子名称: 1,2-ETHANEDIOL, 4-chloranyl-6-[4-[(3-fluorophenyl)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-amine, ACETATE ION, ...
著者Steegborn, C, Fushimi, M.
登録日2023-02-28
公開日2023-04-26
最終更新日2023-05-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 2-(dimethylamino)ethyl 5-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-2-methyl-4-(phenylmethyl)pyrazole-3-carboxylate, ACETATE ION, ...
著者Steegborn, C, Fushimi, M.
登録日2023-02-28
公開日2023-04-26
最終更新日2023-05-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
8CNH
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BU of 8cnh by Molmil
Crystal structure of human soluble adenylyl cyclase (sAC) in complex with inhibitor TDI-10512
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Adenylate cyclase type 10, ...
著者Steegborn, C.
登録日2023-02-23
公開日2023-04-26
最終更新日2023-05-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
5D0R
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BU of 5d0r by Molmil
Crystal structure of human soluble Adenylyl Cyclase with the inhibitor bithionol
分子名称: 1,2-ETHANEDIOL, 2,2'-sulfanediylbis(4,6-dichlorophenol), ACETATE ION, ...
著者Kleinboelting, S, Steegborn, C.
登録日2015-08-03
公開日2016-03-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Bithionol Potently Inhibits Human Soluble Adenylyl Cyclase through Binding to the Allosteric Activator Site.
J.Biol.Chem., 291, 2016
8B75
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BU of 8b75 by Molmil
CRYSTAL STRUCTURE OF HUMAN SOLUBLE ADENYLYL CYCLASE IN COMPLEX WITH THE INHIBITOR TDI-011861
分子名称: 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
著者Steegborn, C, Kehr, M.
登録日2022-09-28
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Design, Synthesis, and Pharmacological Evaluation of Second-Generation Soluble Adenylyl Cyclase (sAC, ADCY10) Inhibitors with Slow Dissociation Rates.
J.Med.Chem., 65, 2022
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
分子名称: 1,2-ETHANEDIOL, 6-chloro-N~4~-cyclopropyl-N~4~-[(thiophen-2-yl)methyl]pyrimidine-2,4-diamine, ACETATE ION, ...
著者Kleinboelting, S, Steegborn, C.
登録日2016-03-18
公開日2016-08-17
最終更新日2022-11-30
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Discovery of LRE1 as a specific and allosteric inhibitor of soluble adenylyl cyclase.
Nat.Chem.Biol., 12, 2016
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
分子名称: 1,2-ETHANEDIOL, 6-chloro-N~4~-cyclopropyl-N~4~-[(thiophen-2-yl)methyl]pyrimidine-2,4-diamine, ACETATE ION, ...
著者Kleinboelting, S, Steegborn, C.
登録日2016-03-18
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Discovery of LRE1 as a specific and allosteric inhibitor of soluble adenylyl cyclase.
Nat.Chem.Biol., 12, 2016
4CLS
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BU of 4cls by Molmil
Crystal structure of human soluble Adenylyl Cyclase with Pyrophosphate
分子名称: 1,2-ETHANEDIOL, ACETATE ION, ADENYLATE CYCLASE TYPE 10, ...
著者Kleinboelting, S, Weyand, M, Steegborn, C.
登録日2014-01-15
公開日2014-03-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structures of Human Soluble Adenylyl Cyclase Reveal Mechanisms of Catalysis and of its Activation Through Bicarbonate.
Proc.Natl.Acad.Sci.USA, 111, 2014
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
分子名称: 1,2-ETHANEDIOL, ADENYLATE CYCLASE TYPE 10, CALCIUM ION, ...
著者Kleinboelting, S, Weyand, M, Steegborn, C.
登録日2014-01-15
公開日2014-03-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal Structures of Human Soluble Adenylyl Cyclase Reveal Mechanisms of Catalysis and of its Activation Through Bicarbonate.
Proc.Natl.Acad.Sci.USA, 111, 2014
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
分子名称: 1,2-ETHANEDIOL, ADENYLATE CYCLASE TYPE 10, CALCIUM ION, ...
著者Kleinboelting, S, Weyand, M, Steegborn, C.
登録日2014-01-15
公開日2014-03-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structures of Human Soluble Adenylyl Cyclase Reveal Mechanisms of Catalysis and of its Activation Through Bicarbonate.
Proc.Natl.Acad.Sci.USA, 111, 2014
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
分子名称: 1,2-ETHANEDIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, ADENYLATE CYCLASE TYPE 10, ...
著者Kleinboelting, S, Weyand, M, Steegborn, C.
登録日2014-01-15
公開日2014-03-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structures of Human Soluble Adenylyl Cyclase Reveal Mechanisms of Catalysis and of its Activation Through Bicarbonate.
Proc.Natl.Acad.Sci.USA, 111, 2014
4CLY
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BU of 4cly by Molmil
Crystal structure of human soluble Adenylyl Cyclase soaked with biselenite
分子名称: 1,2-ETHANEDIOL, ADENYLATE CYCLASE TYPE 10, BISELENITE ION, ...
著者Kleinboelting, S, Weyand, M, Steegborn, C.
登録日2014-01-15
公開日2014-03-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal Structures of Human Soluble Adenylyl Cyclase Reveal Mechanisms of Catalysis and of its Activation Through Bicarbonate.
Proc.Natl.Acad.Sci.USA, 111, 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
分子名称: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, ...
著者Kleinboelting, S, Weyand, M, Steegborn, C.
登録日2014-01-15
公開日2014-03-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structures of Human Soluble Adenylyl Cyclase Reveal Mechanisms of Catalysis and of its Activation Through Bicarbonate.
Proc.Natl.Acad.Sci.USA, 111, 2014
4CM2
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BU of 4cm2 by Molmil
Crystal structure of human soluble Adenylyl Cyclase soaked with bisulfite
分子名称: ADENYLATE CYCLASE TYPE 10, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Kleinboelting, S, Weyand, M, Steegborn, C.
登録日2014-01-15
公開日2014-03-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, ADENYLATE CYCLASE TYPE 10, BICARBONATE ION, ...
著者Kleinboelting, S, Weyand, M, Steegborn, C.
登録日2014-01-15
公開日2014-03-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structures of Human Soluble Adenylyl Cyclase Reveal Mechanisms of Catalysis and of its Activation Through Bicarbonate.
Proc.Natl.Acad.Sci.USA, 111, 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
分子名称: CALCIUM ION, CHLORIDE ION, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
著者Kleinboelting, S, Weyand, M, Steegborn, C.
登録日2014-01-15
公開日2014-03-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献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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