7OVD
 
 | | 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: | 2024-10-16 | | 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
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2BW7
 | | A novel mechanism for adenylyl cyclase inhibition from the crystal structure of its complex with catechol estrogen | | Descriptor: | 2,3,17BETA-TRIHYDROXY-1,3,5(10)-ESTRATRIENE, ADENYLATE CYCLASE, CALCIUM ION, ... | | Authors: | Steegborn, C, Litvin, T.N, Hess, K.C, Capper, A.B, Taussig, R, Buck, J, Levin, L.R, Wu, H. | | Deposit date: | 2005-07-12 | | Release date: | 2005-07-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A Novel Mechanism for Adenylyl Cyclase Inhibition from the Crystal Structure of its Complex with Catechol Estrogen
J.Biol.Chem., 280, 2005
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1HZ4
 | | CRYSTAL STRUCTURE OF TRANSCRIPTION FACTOR MALT DOMAIN III | | Descriptor: | BENZOIC ACID, GLYCEROL, MALT REGULATORY PROTEIN, ... | | Authors: | Steegborn, C, Danot, O, Clausen, T, Huber, R. | | Deposit date: | 2001-01-23 | | Release date: | 2001-11-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal structure of transcription factor MalT domain III: a novel helix repeat fold implicated in regulated oligomerization.
Structure, 9, 2001
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1I41
 | | CYSTATHIONINE GAMMA-SYNTHASE IN COMPLEX WITH THE INHIBITOR APPA | | Descriptor: | 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-IMINO]-5-PHOSPHONO-PENT-3-ENOIC ACID, CYSTATHIONINE GAMMA-SYNTHASE | | Authors: | Steegborn, C, Laber, B, Messerschmidt, A, Huber, R, Clausen, T. | | Deposit date: | 2001-02-19 | | Release date: | 2001-09-05 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structures of cystathionine gamma-synthase inhibitor complexes rationalize the increased affinity of a novel inhibitor.
J.Mol.Biol., 311, 2001
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1QGN
 | | CYSTATHIONINE GAMMA-SYNTHASE FROM NICOTIANA TABACUM | | Descriptor: | PROTEIN (CYSTATHIONINE GAMMA-SYNTHASE), PYRIDOXAL-5'-PHOSPHATE | | Authors: | Steegborn, C, Messerschmidt, A, Laber, B, Streber, W, Huber, R, Clausen, T. | | Deposit date: | 1999-05-02 | | Release date: | 1999-08-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The crystal structure of cystathionine gamma-synthase from Nicotiana tabacum reveals its substrate and reaction specificity.
J.Mol.Biol., 290, 1999
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1I48
 | | CYSTATHIONINE GAMMA-SYNTHASE IN COMPLEX WITH THE INHIBITOR CTCPO | | Descriptor: | CARBOXYMETHYLTHIO-3-(3-CHLOROPHENYL)-1,2,4-OXADIAZOL, CYSTATHIONINE GAMMA-SYNTHASE, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Steegborn, C, Laber, B, Messerschmidt, A, Huber, R, Clausen, T. | | Deposit date: | 2001-02-20 | | Release date: | 2001-09-05 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Crystal structures of cystathionine gamma-synthase inhibitor complexes rationalize the increased affinity of a novel inhibitor.
J.Mol.Biol., 311, 2001
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1I43
 | | CYSTATHIONINE GAMMA-SYNTHASE IN COMPLEX WITH THE INHIBITOR PPCA | | Descriptor: | 3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID, CYSTATHIONINE GAMMA-SYNTHASE, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Steegborn, C, Laber, B, Messerschmidt, A, Huber, R, Clausen, T. | | Deposit date: | 2001-02-19 | | Release date: | 2001-09-05 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal structures of cystathionine gamma-synthase inhibitor complexes rationalize the increased affinity of a novel inhibitor.
J.Mol.Biol., 311, 2001
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4TR4
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4TR3
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5MF6
 | | Human Sirt6 in complex with activator UBCS039 | | Descriptor: | (4~{R})-4-pyridin-3-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline, 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-6, ... | | Authors: | Steegborn, C, You, W, Kambach, C. | | Deposit date: | 2016-11-17 | | Release date: | 2016-12-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structural Basis of Sirtuin 6 Activation by Synthetic Small Molecules.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5MGN
 | | Human Sirt6 in complex with activator UBCS38 | | Descriptor: | (4~{R})-4-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]sulfonyl-4~{H}-pyrrolo[1,2-a]quinoxaline, 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-6, ... | | Authors: | Steegborn, C, You, W, Kambach, C. | | Deposit date: | 2016-11-21 | | Release date: | 2016-12-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structural Basis of Sirtuin 6 Activation by Synthetic Small Molecules.
Angew. Chem. Int. Ed. Engl., 56, 2017
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8B75
 | | 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
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8CO7
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5MFZ
 | | Human Sirt6 in complex with small molecule UBCS40 | | Descriptor: | 1,2-ETHANEDIOL, 1-pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol, NAD-dependent protein deacetylase sirtuin-6, ... | | Authors: | Steegborn, C, You, W, Kambach, C. | | Deposit date: | 2016-11-19 | | Release date: | 2016-12-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis of Sirtuin 6 Activation by Synthetic Small Molecules.
Angew. Chem. Int. Ed. Engl., 56, 2017
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8CNH
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8COT
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8COJ
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5MFP
 | | Human Sirt6 in complex with activator UBCS58 | | Descriptor: | 1,2-ETHANEDIOL, 4-pyridin-3-ylpyrrolo[1,2-a]quinoxaline, NAD-dependent protein deacetylase sirtuin-6, ... | | Authors: | Steegborn, C, You, W, Kambach, C. | | Deposit date: | 2016-11-18 | | Release date: | 2016-12-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural Basis of Sirtuin 6 Activation by Synthetic Small Molecules.
Angew. Chem. Int. Ed. Engl., 56, 2017
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8BBK
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1WC4
 | | Soluble adenylyl cyclase CyaC from S. platensis in complex with alpha, beta-methylene-ATP and Europium | | Descriptor: | ADENYLATE CYCLASE, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, EUROPIUM (III) ION | | Authors: | Steegborn, C, Litvin, T.N, Levin, L.R, Buck, J, Wu, H. | | Deposit date: | 2004-11-08 | | Release date: | 2004-12-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Bicarbonate Activation of Adenylyl Cyclase Via Promotion of Catalytic Active Site Closure and Metal Recruitment
Nat.Struct.Mol.Biol., 12, 2005
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1WC0
 | | Soluble adenylyl cyclase CyaC from S. platensis in complex with alpha, beta-methylene-ATP | | Descriptor: | ADENYLATE CYCLASE, CALCIUM ION, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER | | Authors: | Steegborn, C, Litvin, T.N, Levin, L.R, Buck, J, Wu, H. | | Deposit date: | 2004-11-05 | | Release date: | 2004-12-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Bicarbonate Activation of Adenylyl Cyclase Via Promotion of Catalytic Active Site Closure and Metal Recruitment
Nat.Struct.Mol.Biol., 12, 2005
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1WC3
 | | Soluble adenylyl cyclase CyaC from S. platensis in complex with alpha, beta-methylene-ATP and Strontium | | Descriptor: | ADENYLATE CYCLASE, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, STRONTIUM ION | | Authors: | Steegborn, C, Litvin, T.N, Levin, L.R, Buck, J, Wu, H. | | Deposit date: | 2004-11-08 | | Release date: | 2004-12-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Bicarbonate Activation of Adenylyl Cyclase Via Promotion of Catalytic Active Site Closure and Metal Recruitment
Nat.Struct.Mol.Biol., 12, 2005
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1WC5
 | | Soluble adenylyl cyclase CyaC from S. platensis in complex with alpha, beta-methylene-ATP in presence of bicarbonate | | Descriptor: | ADENYLATE CYCLASE, CALCIUM ION, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... | | Authors: | Steegborn, C, Litvin, T.N, Levin, L.R, Buck, J, Wu, H. | | Deposit date: | 2004-11-08 | | Release date: | 2004-12-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Bicarbonate Activation of Adenylyl Cyclase Via Promotion of Catalytic Active Site Closure and Metal Recruitment
Nat.Struct.Mol.Biol., 12, 2005
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1WC6
 | | Soluble adenylyl cyclase CyaC from S. platensis in complex with Rp- ATPalphaS in presence of bicarbonate | | Descriptor: | ADENOSINE-5'-RP-ALPHA-THIO-TRIPHOSPHATE, ADENYLATE CYCLASE, MAGNESIUM ION | | Authors: | Steegborn, C, Litvin, T.N, Levin, L.R, Buck, J, Wu, H. | | Deposit date: | 2004-11-08 | | Release date: | 2004-12-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Bicarbonate Activation of Adenylyl Cyclase Via Promotion of Catalytic Active Site Closure and Metal Recruitment
Nat.Struct.Mol.Biol., 12, 2005
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1WC1
 | | Soluble adenylyl cyclase CyaC from S. platensis in complex with Rp- ATPalphaS | | Descriptor: | ADENOSINE-5'-RP-ALPHA-THIO-TRIPHOSPHATE, ADENYLATE CYCLASE, MAGNESIUM ION | | Authors: | Steegborn, C, Litvin, T.N, Levin, L.R, Buck, J, Wu, H. | | Deposit date: | 2004-11-06 | | Release date: | 2004-12-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Bicarbonate Activation of Adenylyl Cyclase Via Promotion of Catalytic Active Site Closure and Metal Recruitment
Nat.Struct.Mol.Biol., 12, 2005
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