6YP4
 
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5IV4
 | | 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
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5IV3
 | | 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
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5D0R
 | | 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
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4USW
 | | 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
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4USU
 | | 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
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4UST
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4USV
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4CLF
 | | 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
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7OVI
 | | Protein kinase MKK7 in complex with phenethyltriazole-substituted pyrazolopyrimidine | | Descriptor: | 1-[(3~{R})-3-[4-azanyl-3-[1-(2-phenylethyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7 | | Authors: | Kleinboelting, S, Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2021-06-15 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Optimization of Covalent MKK7 Inhibitors via Crude Nanomole-Scale Libraries.
J.Med.Chem., 65, 2022
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7OVK
 | | Protein kinase MKK7 in complex with 5-bromo-2-hydroxyphenyl-substituted pyrazolopyrimidine | | Descriptor: | 1-[(3~{R})-3-[4-azanyl-3-[1-(5-bromanyl-2-oxidanyl-phenyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7, GLYCEROL | | Authors: | Kleinboelting, S, Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2021-06-15 | | Release date: | 2022-07-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Optimization of Covalent MKK7 Inhibitors via Crude Nanomole-Scale Libraries.
J.Med.Chem., 65, 2022
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4CLS
 | | 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
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4CLK
 | | 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
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4CM2
 | | 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
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4CLP
 | | 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
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4CLZ
 | | 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
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4CM0
 | | 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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4CLU
 | | 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
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4CLL
 | | 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
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4CLT
 | | 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
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4CLY
 | | 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
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4CLW
 | | 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
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6UQR
 | | Complex of IgE and Ligelizumab | | Descriptor: | IgE, Ligelizumab, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Tarchevskaya, S.S, Kleinboelting, S, Jardetzky, T.S. | | Deposit date: | 2019-10-21 | | Release date: | 2019-12-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.6502912 Å) | | Cite: | The mechanistic and functional profile of the therapeutic anti-IgE antibody ligelizumab differs from omalizumab.
Nat Commun, 11, 2020
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7AH3
 | | Kinase domain of cSrc in complex with a pyrazolopyrimidine | | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Dello Iacono, L, Kleinboelting, S, Fallacara, A.L, Rauh, D. | | Deposit date: | 2020-09-24 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Insights into the binding of pyrazolopyrimidines to Src kinase
To Be Published
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5AHW
 | | Crystal structure of universal stress protein MSMEG_3811 in complex with cAMP | | Descriptor: | (20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CHLORIDE ION, ... | | Authors: | Adolph, R.S, Kleinboelting, S, Weyand, M, Steegborn, C. | | Deposit date: | 2015-02-10 | | Release date: | 2015-04-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A Universal Stress Protein (Usp) in Mycobacteria Binds Camp
J.Biol.Chem., 290, 2015
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