9C1W
 
 | | Structure of AKT2 with compound 3 | | Descriptor: | 1,2-ETHANEDIOL, 4-{2-[({4-[(2P)-2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl]phenyl}methyl)amino]ethyl}-2-hydroxybenzaldehyde, RAC-beta serine/threonine-protein kinase | | Authors: | Craven, G.B, Ma, X, Taunton, J. | | Deposit date: | 2024-05-29 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mutant-selective AKT1 inhibitors via lysine targeting and neo-zinc chelation
To Be Published
|
|
8UVY
 | | Structure of AKT1(E17K) with compound 3 | | Descriptor: | 1,2-ETHANEDIOL, 4-{2-[({4-[(2P)-2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl]phenyl}methyl)amino]ethyl}-2-hydroxybenzaldehyde, NB41, ... | | Authors: | Craven, G.B, Taunton, J. | | Deposit date: | 2023-11-05 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Mutant-selective AKT1 inhibitors via lysine targeting and neo-zinc chelation
To Be Published
|
|
8UW7
 | | Structure of AKT1(WT) with compound 3 | | Descriptor: | 1,2-ETHANEDIOL, 4-{2-[({4-[(2P)-2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl]phenyl}methyl)amino]ethyl}-2-hydroxybenzaldehyde, NB41, ... | | Authors: | Craven, G.B, Taunton, J. | | Deposit date: | 2023-11-06 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.972 Å) | | Cite: | Mutant-selective AKT1 inhibitors via lysine targeting and neo-zinc chelation
To Be Published
|
|
8UW9
 | | Structure of AKT1(E17K) with compound 4 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, N-({4-[(2P)-2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl]phenyl}methyl)-2-(2-fluoro-4-formyl-3-hydroxyphenyl)acetamide, ... | | Authors: | Craven, G.B, Taunton, J. | | Deposit date: | 2023-11-06 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mutant-selective AKT1 inhibitors via lysine targeting and neo-zinc chelation
To Be Published
|
|
8UW2
 | | Structure of AKT1(E17K) with compound 3 (zinc-free) | | Descriptor: | 1,2-ETHANEDIOL, 4-{2-[({4-[(2P)-2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl]phenyl}methyl)amino]ethyl}-2-hydroxybenzaldehyde, NB41, ... | | Authors: | Craven, G.B, Taunton, J. | | Deposit date: | 2023-11-05 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mutant-selective AKT1 inhibitors via lysine targeting and neo-zinc chelation
To Be Published
|
|
8TYM
 | |
8TYN
 | |
8OZZ
 | |
8SZ4
 | |
8SXZ
 | |
8SZ7
 | |
8T0R
 | |
8T0K
 | |
8SZ8
 | |
8GMB
 | | Crystal structure of the full-length Bruton's tyrosine kinase (PH-TH domain not visible) | | Descriptor: | 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one, Tyrosine-protein kinase BTK | | Authors: | Lin, D.Y, Andreotti, A.H. | | Deposit date: | 2023-03-24 | | Release date: | 2023-08-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Conformational heterogeneity of the BTK PHTH domain drives multiple regulatory states.
Elife, 12, 2024
|
|
8S93
 | | Crystal structure of the PH-TH/kinase complex of Bruton's tyrosine kinase | | Descriptor: | 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one, GLYCEROL, Tyrosine-protein kinase BTK, ... | | Authors: | Lin, D.Y, Andreotti, A.H. | | Deposit date: | 2023-03-27 | | Release date: | 2023-08-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Conformational heterogeneity of the BTK PHTH domain drives multiple regulatory states.
Elife, 12, 2024
|
|
8Q61
 | | Co-crystal structure of human AKT2 with compound 3 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[4-(1-azanyl-3-methyl-3-oxidanyl-cyclobutyl)phenyl]-7-phenyl-1-propyl-pyrido[2,3-b][1,4]oxazin-2-one, GLYCEROL, ... | | Authors: | Harrison, T, Barker, O. | | Deposit date: | 2023-08-10 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Identification and development of a subtype-selective allosteric AKT inhibitor suitable for clinical development.
Sci Rep, 12, 2022
|
|
8JPC
 | | cryo-EM structure of NTSR1-GRK2-Galpha(q) complexes 2 | | Descriptor: | 2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol, Beta-adrenergic receptor kinase 1, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E. | | Deposit date: | 2023-06-11 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
|
|
8JPB
 | | cryo-EM structure of NTSR1-GRK2-Galpha(q) complexes 1 | | Descriptor: | 2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol, Beta-adrenergic receptor kinase 1, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E. | | Deposit date: | 2023-06-11 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
|
|
8JPD
 | | Focused refinement structure of GRK2 in NTSR1-GRK2-Galpha(q) complexes | | Descriptor: | Beta-adrenergic receptor kinase 1, STAUROSPORINE | | Authors: | Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E. | | Deposit date: | 2023-06-11 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (2.81 Å) | | Cite: | GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
|
|
7YIR
 | |
7YIS
 | | Crystal structure of N-terminal PH domain of ARAP3 protein in complex with inositol 1,3,4,5-tetrakisphosphate | | Descriptor: | (2R)-3-{[(S)-{[(2S,3R,5S,6S)-2,6-DIHYDROXY-3,4,5-TRIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-(1-HYDROXY BUTOXY)PROPYL BUTYRATE, Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 3 | | Authors: | Zhang, Y.J, Liu, Y.R, Wu, B. | | Deposit date: | 2022-07-18 | | Release date: | 2023-05-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural Insights Uncover the Specific Phosphoinositide Recognition by the PH1 Domain of Arap3.
Int J Mol Sci, 24, 2023
|
|
7VS3
 | | The crystal structure of rat calcium-dependent activator protein for secretion (CAPS) C2PH | | Descriptor: | Calcium-dependent secretion activator 1, SULFATE ION | | Authors: | Zhou, H, Wei, Z.Q, Zhang, L, Ren, Y.J, Ma, C. | | Deposit date: | 2021-10-25 | | Release date: | 2023-02-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.595 Å) | | Cite: | The C 2 and PH domains of CAPS constitute an effective PI(4,5)P2-binding unit essential for Ca 2+ -regulated exocytosis.
Structure, 31, 2023
|
|
7T8T
 | | CryoEM structure of PLCg1 | | Descriptor: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma, CALCIUM ION | | Authors: | Endo-Streeter, S, Sondek, J. | | Deposit date: | 2021-12-17 | | Release date: | 2022-12-21 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.68 Å) | | Cite: | CryoEM structure of PLCg1
To Be Published
|
|
7MYX
 | |
