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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
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
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
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
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
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
5A2Q
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BU of 5a2q by Molmil
Structure of the HCV IRES bound to the human ribosome
Descriptor: 18S RRNA, HCV IRES, MAGNESIUM ION, ...
Authors:Quade, N, Leiundgut, M, Boehringer, D, Heuvel, J.v.d, Ban, N.
Deposit date:2015-05-21
Release date:2015-07-15
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-Em Structure of Hepatitis C Virus Ires Bound to the Human Ribosome at 3.9 Angstrom Resolution
Nat.Commun., 6, 2015
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
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
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
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
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
6R6U
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BU of 6r6u by Molmil
Crystal structure of human cis-aconitate decarboxylase
Descriptor: (R,R)-2,3-BUTANEDIOL, Cis-aconitate decarboxylase, SODIUM ION
Authors:Lukat, P, Chen, F, Saile, K, Buessow, K, Pessler, F, Blankenfeldt, W.
Deposit date:2019-03-28
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.705 Å)
Cite:Crystal structure ofcis-aconitate decarboxylase reveals the impact of naturally occurring human mutations on itaconate synthesis.
Proc.Natl.Acad.Sci.USA, 116, 2019
6R6T
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BU of 6r6t by Molmil
Crystal structure of mouse cis-aconitate decarboxylase
Descriptor: Cis-aconitate decarboxylase
Authors:Lukat, P, Chen, F, Saile, K, Buessow, K, Pessler, F, Blankenfeldt, W.
Deposit date:2019-03-28
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.535 Å)
Cite:Crystal structure ofcis-aconitate decarboxylase reveals the impact of naturally occurring human mutations on itaconate synthesis.
Proc.Natl.Acad.Sci.USA, 116, 2019
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
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)
Descriptor: CHLORIDE ION, CP5-46-A PEPTIDE, NONSTRUCTURAL PROTEIN 4A, ...
Authors:Schmelz, S, Kuegler, J, Collins, J, Heinz, D.
Deposit date:2011-09-20
Release date:2012-09-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: CHLORIDE ION, CP5-46A-4D5E, NON-STRUCTURAL PROTEIN 4A, ...
Authors:Schmelz, S, Kuegler, J, Collins, J, Heinz, D.W.
Deposit date:2011-09-20
Release date:2012-09-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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)
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BICARBONATE ION, CHLORIDE ION, ...
Authors:Schmelz, S, Kuegler, J, Collins, J, Heinz, D.W.
Deposit date:2011-09-19
Release date:2012-09-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:High Affinity Peptide Inhibitors of the Hepatitis C Virus Ns3-4A Protease Refractory to Common Resistant Mutants.
J.Biol.Chem., 287, 2012
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
4D3Z
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BU of 4d3z by Molmil
The structure of inactive prolegumain from chinese hamster, trigonal space group.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PROLEGUMAIN
Authors:Li, W, Heinz, D.W, Krausze, J.
Deposit date:2014-10-24
Release date:2016-01-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, LEGUMAIN
Authors:Li, W, Heinz, D.W, Krausze, J.
Deposit date:2014-10-24
Release date:2016-01-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.848 Å)
Cite: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.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, LEGUMAIN
Authors:Li, W, Heinz, D.W, Krausze, J.
Deposit date:2014-10-24
Release date:2016-01-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A Detailed Look Into Chinese Hamster Legumain Active Site Structure and Exploration of its Function
To be Published
2OMW
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BU of 2omw by Molmil
Crystal structure of InlA S192N Y369S/mEC1 complex
Descriptor: CHLORIDE ION, Epithelial-cadherin, Internalin-A
Authors:Wollert, T, Heinz, D.W, Schubert, W.D.
Deposit date:2007-01-23
Release date:2007-06-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Extending the host range of Listeria monocytogenes by rational protein design.
Cell(Cambridge,Mass.), 129, 2007
2OMV
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BU of 2omv by Molmil
Crystal structure of InlA S192N Y369S/hEC1 complex
Descriptor: CALCIUM ION, CHLORIDE ION, Epithelial-cadherin, ...
Authors:Wollert, T, Heinz, D.W, Schubert, W.D.
Deposit date:2007-01-23
Release date:2007-06-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: CALCIUM ION, CHLORIDE ION, Epithelial-cadherin, ...
Authors:Wollert, T, Heinz, D.W, Schubert, W.D.
Deposit date:2007-01-23
Release date:2007-06-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Extending the host range of Listeria monocytogenes by rational protein design.
Cell(Cambridge,Mass.), 129, 2007
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