5WG5
| Human GRK2 in complex with Gbetagamma subunits and CCG224061 | Descriptor: | 5-{[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methoxy}-2H-indazole, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Bouley, R, Tesmer, J.J.G. | Deposit date: | 2017-07-13 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural Determinants Influencing the Potency and Selectivity of Indazole-Paroxetine Hybrid G Protein-Coupled Receptor Kinase 2 Inhibitors. Mol. Pharmacol., 92, 2017
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5WG4
| Human GRK2 in complex with Gbetagamma subunits and CCG257284 | Descriptor: | 2-fluoro-5-[(3S,4R)-3-{[(1H-indazol-5-yl)oxy]methyl}piperidin-4-yl]-N-[(pyridin-2-yl)methyl]benzamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Bouley, R, Tesmer, J.J.G. | Deposit date: | 2017-07-13 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structural Determinants Influencing the Potency and Selectivity of Indazole-Paroxetine Hybrid G Protein-Coupled Receptor Kinase 2 Inhibitors. Mol. Pharmacol., 92, 2017
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8SOB
| Phosphoinositide phosphate 3 kinase gamma bound with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Phosphoinositide 3-kinase regulatory subunit 5, phosphatidylinositol-4,5-bisphosphate 3-kinase | Authors: | Chen, C.-L, Tesmer, J.J.G. | Deposit date: | 2023-04-28 | Release date: | 2024-04-03 | Last modified: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Molecular basis for G beta gamma-mediated activation of phosphoinositide 3-kinase gamma. Nat.Struct.Mol.Biol., 2024
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8SOA
| Phosphoinositide phosphate 3 kinase gamma bound with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Phosphoinositide 3-kinase regulatory subunit 5, phosphatidylinositol-4,5-bisphosphate 3-kinase | Authors: | Chen, C.-L, Tesmer, J.J.G. | Deposit date: | 2023-04-28 | Release date: | 2024-04-03 | Last modified: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.32 Å) | Cite: | Molecular basis for G beta gamma-mediated activation of phosphoinositide 3-kinase gamma. Nat.Struct.Mol.Biol., 2024
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8SL4
| Dimeric form of human adenylyl cyclase 5 | Descriptor: | Adenylate cyclase type 5 | Authors: | Yen, Y.C, Tesmer, J.J.G. | Deposit date: | 2023-04-20 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | Structure of adenylyl cyclase 5 in complex with G beta gamma offers insights into ADCY5-related dyskinesia. Nat.Struct.Mol.Biol., 2024
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8SO9
| Phosphoinositide phosphate 3 kinase gamma | Descriptor: | Phosphoinositide 3-kinase regulatory subunit 5, phosphatidylinositol-4,5-bisphosphate 3-kinase | Authors: | Chen, C.-L, Tesmer, J.J.G. | Deposit date: | 2023-04-28 | Release date: | 2024-04-03 | Last modified: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.03 Å) | Cite: | Molecular basis for G beta gamma-mediated activation of phosphoinositide 3-kinase gamma. Nat.Struct.Mol.Biol., 2024
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8SL3
| Human adenylyl Cyclase 5 in complex with Gbg | Descriptor: | Adenylate cyclase type 5, GERAN-8-YL GERAN, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Yen, Y.C, Tesmer, J.J.G. | Deposit date: | 2023-04-20 | Release date: | 2024-04-03 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | Structure of adenylyl cyclase 5 in complex with G beta gamma offers insights into ADCY5-related dyskinesia. Nat.Struct.Mol.Biol., 2024
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8SOE
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8SOD
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8SOC
| Phosphoinositide phosphate 3 kinase gamma bound with ADP and Gbetagamma | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Chen, C.-L, Tesmer, J.J.G. | Deposit date: | 2023-04-28 | Release date: | 2024-04-03 | Last modified: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Molecular basis for G beta gamma-mediated activation of phosphoinositide 3-kinase gamma. Nat.Struct.Mol.Biol., 2024
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6BNY
| TBK1 in complex with tetrazole analog of amlexanox | Descriptor: | 2-amino-7-(propan-2-yl)-3-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridin-5-one, Serine/threonine-protein kinase TBK1 | Authors: | Beyett, T.S, Tesmer, J.J.G. | Deposit date: | 2017-11-17 | Release date: | 2018-09-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.341 Å) | Cite: | Carboxylic Acid Derivatives of Amlexanox Display Enhanced Potency toward TBK1 and IKKepsilonand Reveal Mechanisms for Selective Inhibition. Mol. Pharmacol., 94, 2018
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8UAQ
| Crystal Structure of Human G Protein-Coupled Receptor Kinase 5 in Complex with GRL018-21 | Descriptor: | (3Z)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-{[(2S)-2-(furan-2-yl)-2-hydroxyacetyl]amino}-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide, G protein-coupled receptor kinase 5 | Authors: | Chen, Y, Tesmer, J.J.G. | Deposit date: | 2023-09-21 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Development of a new class of potent and highly selective G protein-coupled receptor kinase 5 inhibitors and structural insight from crystal structures of inhibitor complexes. Eur.J.Med.Chem., 264, 2023
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8UAP
| Crystal Structure of Human G Protein-Coupled Receptor Kinase 5 D311N in Complex with CCG273441 | Descriptor: | (3Z)-3-{[4-(2-chloroacetamido)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene}-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide, G protein-coupled receptor kinase 5 | Authors: | Chen, Y, Tesmer, J.J.G. | Deposit date: | 2023-09-21 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Development of a new class of potent and highly selective G protein-coupled receptor kinase 5 inhibitors and structural insight from crystal structures of inhibitor complexes. Eur.J.Med.Chem., 264, 2023
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6BOE
| TBK1 in complex with amide-coupled tetrazole analog of amlexanox | Descriptor: | 2-amino-5-oxo-7-(propan-2-yl)-N-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxamide, Serine/threonine-protein kinase TBK1 | Authors: | Beyett, T.S, Tesmer, J.J.G. | Deposit date: | 2017-11-19 | Release date: | 2018-09-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.598 Å) | Cite: | Carboxylic Acid Derivatives of Amlexanox Display Enhanced Potency toward TBK1 and IKKepsilonand Reveal Mechanisms for Selective Inhibition. Mol. Pharmacol., 94, 2018
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6BNM
| Crystal Structure of the P-Rex2 PH domain | Descriptor: | CHLORIDE ION, Phosphatidylinositol 3,4,5-trisphosphate-dependent Rac exchanger 2 protein | Authors: | Cash, J.N, Sharma, P.V, Tesmer, J.J.G. | Deposit date: | 2017-11-17 | Release date: | 2018-11-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and biochemical characterization of the pleckstrin homology domain of the RhoGEF P-Rex2 and its regulation by PIP3. J.Struct.Biol., 1, 2019
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6CQ5
| TBK1 in Complex with Sulfone Analog of Amlexanox | Descriptor: | 2-amino-7-(1,1-dioxo-1lambda~6~-thian-4-yl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1 | Authors: | Beyett, T.S, Tesmer, J.J.G. | Deposit date: | 2018-03-14 | Release date: | 2018-12-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.354 Å) | Cite: | Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKK epsilon for the treatment of obesity. Bioorg. Med. Chem., 26, 2018
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6CQ4
| TBK1 in Complex with Cyclohexyl Analog of Amlexanox | Descriptor: | 2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1 | Authors: | Beyett, T.S, Tesmer, J.J.G. | Deposit date: | 2018-03-14 | Release date: | 2018-12-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKK epsilon for the treatment of obesity. Bioorg. Med. Chem., 26, 2018
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6CQ0
| TBK1 in Complex with Dimethyl Amino Analog of Amlexanox | Descriptor: | 2-amino-7-[3-(dimethylamino)propyl]-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1 | Authors: | Beyett, T.S, Tesmer, J.J.G. | Deposit date: | 2018-03-14 | Release date: | 2018-12-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKK epsilon for the treatment of obesity. Bioorg. Med. Chem., 26, 2018
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8TUA
| Full-length P-Rex1 in complex with inositol 1,3,4,5-tetrakisphosphate (IP4) | Descriptor: | INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, Phosphatidylinositol 3,4,5-trisphosphate-dependent Rac exchanger 1 protein | Authors: | Cash, J.N, Tesmer, J.J.G. | Deposit date: | 2023-08-15 | Release date: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Full-length P-Rex1 in complex with inositol 1,3,4,5-tetrakisphosphate (IP4) Elife, 2024
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6C2Y
| Human GRK2 in complex with Gbetagamma subunits and CCG257142 | Descriptor: | (4R,5R,6S)-4-[4-fluoro-3-({[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}carbamoyl)phenyl]-N-(2H-indazol-5-yl)-6-methyl-2-oxohexahydropyrimidine-5-carboxamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Bouley, R, Tesmer, J.J.G. | Deposit date: | 2018-01-09 | Release date: | 2018-04-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Utilizing a structure-based docking approach to develop potent G protein-coupled receptor kinase (GRK) 2 and 5 inhibitors. Bioorg. Med. Chem. Lett., 28, 2018
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6BOD
| TBK1 in complex with ethyl ester analog of amlexanox | Descriptor: | Serine/threonine-protein kinase TBK1, ethyl 2-amino-5-oxo-7-(propan-2-yl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylate | Authors: | Beyett, T.S, Tesmer, J.J.G. | Deposit date: | 2017-11-19 | Release date: | 2018-09-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.197 Å) | Cite: | Carboxylic Acid Derivatives of Amlexanox Display Enhanced Potency toward TBK1 and IKKepsilonand Reveal Mechanisms for Selective Inhibition. Mol. Pharmacol., 94, 2018
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3CIK
| Human GRK2 in Complex with Gbetagamma subunits | Descriptor: | Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Tesmer, J.J.G, Lodowski, D.T. | Deposit date: | 2008-03-11 | Release date: | 2009-02-17 | Last modified: | 2012-03-07 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure of human G protein-coupled receptor kinase 2 in complex with the kinase inhibitor balanol. J.Med.Chem., 53, 2010
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3KRW
| Human GRK2 in complex with Gbetgamma subunits and balanol (soak) | Descriptor: | BALANOL, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Tesmer, J.J.G, Tesmer, V.M. | Deposit date: | 2009-11-19 | Release date: | 2010-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of human g protein-coupled receptor kinase 2 in complex with the kinase inhibitor balanol. J.Med.Chem., 53, 2010
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3KRX
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3UZT
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