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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
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
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
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
4CLF
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BU of 4clf by Molmil
Crystal structure of human soluble Adenylyl Cyclase (Apo form)
分子名称: ACETATE ION, ADENYLATE CYCLASE TYPE 10, GLYCEROL
著者Kleinboelting, S, Moniot, S, Weyand, M, Steegborn, C.
登録日2014-01-14
公開日2014-03-05
最終更新日2019-04-03
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
4A1X
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BU of 4a1x by Molmil
Co-Complex structure of NS3-4A protease with the inhibitory peptide CP5-46-A (Synchrotron data)
分子名称: CHLORIDE ION, CP5-46-A PEPTIDE, NONSTRUCTURAL PROTEIN 4A, ...
著者Schmelz, S, Kuegler, J, Collins, J, Heinz, D.
登録日2011-09-20
公開日2012-09-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献High Affinity Peptide Inhibitors of the Hepatitis C Virus Ns3-4A Protease Refractory to Common Resistant Mutants.
J.Biol.Chem., 287, 2012
4A1V
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BU of 4a1v by Molmil
Co-Complex structure of NS3-4A protease with the optimized inhibitory peptide CP5-46A-4D5E
分子名称: CHLORIDE ION, CP5-46A-4D5E, NON-STRUCTURAL PROTEIN 4A, ...
著者Schmelz, S, Kuegler, J, Collins, J, Heinz, D.W.
登録日2011-09-20
公開日2012-09-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献High Affinity Peptide Inhibitors of the Hepatitis C Virus Ns3-4A Protease Refractory to Common Resistant Mutants.
J.Biol.Chem., 287, 2012
4A1T
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BU of 4a1t by Molmil
Co-Complex of the of NS3-4A protease with the inhibitory peptide CP5- 46-A (in-House data)
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BICARBONATE ION, CHLORIDE ION, ...
著者Schmelz, S, Kuegler, J, Collins, J, Heinz, D.W.
登録日2011-09-19
公開日2012-09-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献High Affinity Peptide Inhibitors of the Hepatitis C Virus Ns3-4A Protease Refractory to Common Resistant Mutants.
J.Biol.Chem., 287, 2012
2OMV
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BU of 2omv by Molmil
Crystal structure of InlA S192N Y369S/hEC1 complex
分子名称: CALCIUM ION, CHLORIDE ION, Epithelial-cadherin, ...
著者Wollert, T, Heinz, D.W, Schubert, W.D.
登録日2007-01-23
公開日2007-06-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Extending the host range of Listeria monocytogenes by rational protein design.
Cell(Cambridge,Mass.), 129, 2007
2OMY
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BU of 2omy by Molmil
Crystal structure of InlA S192N/hEC1 complex
分子名称: CALCIUM ION, CHLORIDE ION, Epithelial-cadherin, ...
著者Wollert, T, Heinz, D.W, Schubert, W.D.
登録日2007-01-23
公開日2007-06-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Extending the host range of Listeria monocytogenes by rational protein design.
Cell(Cambridge,Mass.), 129, 2007
2OMW
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BU of 2omw by Molmil
Crystal structure of InlA S192N Y369S/mEC1 complex
分子名称: CHLORIDE ION, Epithelial-cadherin, Internalin-A
著者Wollert, T, Heinz, D.W, Schubert, W.D.
登録日2007-01-23
公開日2007-06-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Extending the host range of Listeria monocytogenes by rational protein design.
Cell(Cambridge,Mass.), 129, 2007
4D3Z
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BU of 4d3z by Molmil
The structure of inactive prolegumain from chinese hamster, trigonal space group.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, PROLEGUMAIN
著者Li, W, Heinz, D.W, Krausze, J.
登録日2014-10-24
公開日2016-01-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A Detailed Look Into Chinese Hamster Legumain Active Site Structure and Exploration of its Function
To be Published
4D3X
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BU of 4d3x by Molmil
The structure of mature legumain from chinese hamster.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, LEGUMAIN
著者Li, W, Heinz, D.W, Krausze, J.
登録日2014-10-24
公開日2016-01-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.848 Å)
主引用文献A Detailed Look Into Chinese Hamster Legumain Active Site Structure and Exploration of its Function
To be Published
4D3Y
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BU of 4d3y by Molmil
The structure of inactive prolegumain from chinese hamster.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, LEGUMAIN
著者Li, W, Heinz, D.W, Krausze, J.
登録日2014-10-24
公開日2016-01-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A Detailed Look Into Chinese Hamster Legumain Active Site Structure and Exploration of its Function
To be Published
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
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
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
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2024-10-09
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
4CLU
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BU of 4clu 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 (1.9 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
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
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
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
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
分子名称: 1,2-ETHANEDIOL, 4,4'-Diisothiocyano-2,2'-stilbenedisulfonic acid, ACETATE 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 (1.9 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
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
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