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9C1W
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BU of 9c1w by Molmil
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
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BU of 8uvy by Molmil
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
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BU of 8uw7 by Molmil
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
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BU of 8uw9 by Molmil
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
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BU of 8uw2 by Molmil
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
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BU of 8tym by Molmil
Cryo-EM of the GDP-bound human dynamin (full-length) polymer assembled on the membrane in the super constricted state
Descriptor: Dynamin-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Jimah, J.R, Canagarajah, B.J, Hinshaw, J.E.
Deposit date:2023-08-25
Release date:2024-06-12
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Cryo-EM structures of membrane-bound dynamin in a post-hydrolysis state primed for membrane fission.
Dev.Cell, 59, 2024
8TYN
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BU of 8tyn by Molmil
Cryo-EM of the GDP-bound human dynamin polymer assembled on the membrane in the super constricted state (tetramer model)
Descriptor: Dynamin-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Jimah, J.R, Canagarajah, B.J, Hinshaw, J.E.
Deposit date:2023-08-25
Release date:2024-06-12
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Cryo-EM structures of membrane-bound dynamin in a post-hydrolysis state primed for membrane fission.
Dev.Cell, 59, 2024
8OZZ
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BU of 8ozz by Molmil
PH domain of AKT-like kinase in Trypanosoma cruzi
Descriptor: PH domain of Akt-like kinase in Trypanosoma cruzi
Authors:Stadler, K.A, Ortiz-Joya, L.J, Zangger, K, Gubensaek, N.
Deposit date:2023-05-09
Release date:2024-05-08
Method:SOLUTION NMR
Cite:Structural investigation of Trypanosoma cruzi Akt-like kinase as drug target against Chagas disease.
Sci Rep, 14, 2024
8SZ4
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BU of 8sz4 by Molmil
Cryo-EM of the GDP-bound human dynamin polymer assembled on the membrane in the super constricted state showing the PH domain
Descriptor: Dynamin-1
Authors:Jimah, J.R, Canagarajah, B.J, Hinshaw, J.E.
Deposit date:2023-05-26
Release date:2024-05-01
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Cryo-EM structures of membrane-bound dynamin in a post-hydrolysis state primed for membrane fission.
Dev.Cell, 59, 2024
8SXZ
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BU of 8sxz by Molmil
Cryo-EM of the GDP-bound human dynamin polymer assembled on the membrane in the super constricted state
Descriptor: Dynamin-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Jimah, J.R, Canagarajah, B.J, Hinshaw, J.E.
Deposit date:2023-05-24
Release date:2024-05-01
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Cryo-EM structures of membrane-bound dynamin in a post-hydrolysis state primed for membrane fission.
Dev.Cell, 59, 2024
8SZ7
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BU of 8sz7 by Molmil
Cryo-EM of the GDP-bound human dynamin polymer assembled on the membrane in the super constricted state showing the second PH domain
Descriptor: Dynamin-1
Authors:Jimah, J.R, Canagarajah, B.J, Hinshaw, J.E.
Deposit date:2023-05-27
Release date:2024-05-01
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Cryo-EM structures of membrane-bound dynamin in a post-hydrolysis state primed for membrane fission.
Dev.Cell, 59, 2024
8T0R
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BU of 8t0r by Molmil
Cryo-EM of the GDP-bound human dynamin (full-length) polymer assembled on the membrane in the super constricted state (full helix)
Descriptor: Dynamin-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Jimah, J.R, Canagarajah, B.J, Hinshaw, J.E.
Deposit date:2023-06-01
Release date:2024-05-01
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (3.97 Å)
Cite:Cryo-EM structures of membrane-bound dynamin in a post-hydrolysis state primed for membrane fission.
Dev.Cell, 59, 2024
8T0K
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BU of 8t0k by Molmil
Cryo-EM of the GDP-bound human dynamin (full-length) polymer assembled on the membrane in the super constricted state
Descriptor: Dynamin-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Jimah, J.R, Canagarajah, B.J, Hinshaw, J.E.
Deposit date:2023-06-01
Release date:2024-05-01
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Cryo-EM structures of membrane-bound dynamin in a post-hydrolysis state primed for membrane fission.
Dev.Cell, 59, 2024
8SZ8
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BU of 8sz8 by Molmil
Cryo-EM of the GDP-bound human dynamin polymer assembled on the membrane in the super constricted state (full helix)
Descriptor: Dynamin-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Jimah, J.R, Canagarajah, B.J, Hinshaw, J.E.
Deposit date:2023-05-27
Release date:2024-05-01
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (3.55 Å)
Cite:Cryo-EM structures of membrane-bound dynamin in a post-hydrolysis state primed for membrane fission.
Dev.Cell, 59, 2024
8GMB
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BU of 8gmb by Molmil
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
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BU of 8s93 by Molmil
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
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BU of 8q61 by Molmil
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
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BU of 8jpc by Molmil
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
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BU of 8jpb by Molmil
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
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BU of 8jpd by Molmil
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
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BU of 7yir by Molmil
Crystal structure of N-terminal PH domain of ARAP3 protein from human
Descriptor: Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 3, DI(HYDROXYETHYL)ETHER
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 (2.099 Å)
Cite:Structural Insights Uncover the Specific Phosphoinositide Recognition by the PH1 Domain of Arap3.
Int J Mol Sci, 24, 2023
7YIS
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BU of 7yis by Molmil
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
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BU of 7vs3 by Molmil
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
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BU of 7t8t by Molmil
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
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BU of 7myx by Molmil
Crystal structure of the PH domain (R86A) of Akt1
Descriptor: RAC-alpha serine/threonine-protein kinase
Authors:Bae, H, Park, E, Cole, P.A, Eck, M.J.
Deposit date:2021-05-22
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:PH domain-mediated autoinhibition and oncogenic activation of Akt.
Elife, 11, 2022

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PDB entries from 2024-09-18

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