7XK2
 
 | | Cryo-EM Structure of Human Niacin Receptor HCA2-Gi protein complex | | Descriptor: | 2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid, 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: | Yang, Y, Kang, H.J, Gao, R.G, Wang, J.J, Han, G.W, DiBerto, J.F, Wu, L.J, Tong, J.H, Qu, L, Wu, Y.R, Pileski, R, Li, X.M, Zhang, X.C, Zhao, S.W, Kenakin, T, Wang, Q, Stevens, R.C, Peng, W, Roth, B.L, Rao, Z.H, Liu, Z.J. | | Deposit date: | 2022-04-19 | | Release date: | 2023-02-22 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into the human niacin receptor HCA2-G i signalling complex.
Nat Commun, 14, 2023
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8TZQ
 | | CryoEM structure of D2 dopamine receptor in complex with GoA KE Mutant, scFv16, and dopamine | | Descriptor: | D(2) dopamine receptor, 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: | Krumm, B.E, Kapolka, N.J, Fay, J.F, Roth, B.L. | | Deposit date: | 2023-08-27 | | Release date: | 2024-08-21 | | Last modified: | 2025-05-14 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | A neurodevelopmental disorder mutation locks G proteins in the transitory pre-activated state.
Nat Commun, 15, 2024
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8U02
 | | CryoEM structure of D2 dopamine receptor in complex with GoA KE mutant and dopamine | | Descriptor: | D(2) dopamine receptor, 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: | Krumm, B.E, Kapolka, N.J, Fay, J.F, Roth, B.L. | | Deposit date: | 2023-08-28 | | Release date: | 2024-08-21 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (3.28 Å) | | Cite: | A neurodevelopmental disorder mutation locks G proteins in the transitory pre-activated state.
Nat Commun, 15, 2024
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7S8L
 | | CryoEM structure of Gq-coupled MRGPRX2 with peptide agonist Cortistatin-14 | | Descriptor: | Cortistatin 14, Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L. | | Deposit date: | 2021-09-18 | | Release date: | 2021-11-17 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (2.45 Å) | | Cite: | Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
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7S8N
 | | CryoEM structure of Gq-coupled MRGPRX2 with small molecule agonist (R)-Zinc-3573 | | Descriptor: | (3R)-N,N-dimethyl-1-[(8S)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine, Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L. | | Deposit date: | 2021-09-18 | | Release date: | 2021-11-17 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
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7S8O
 | | CryoEM structure of Gi-coupled MRGPRX2 with small molecule agonist (R)-Zinc-3573 | | Descriptor: | (3R)-N,N-dimethyl-1-[(8S)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine, 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: | Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L. | | Deposit date: | 2021-09-18 | | Release date: | 2021-11-17 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (2.58 Å) | | Cite: | Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
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7S8P
 | | CryoEM structure of Gq-coupled MRGPRX4 with small molecule agonist MS47134 | | Descriptor: | Gs-mini-Gq chimera, 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: | Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L. | | Deposit date: | 2021-09-18 | | Release date: | 2021-11-17 | | Last modified: | 2025-06-04 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
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7S8M
 | | CryoEM structure of Gi-coupled MRGPRX2 with peptide agonist Cortistatin-14 | | Descriptor: | Cortistatin 14, 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: | Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L. | | Deposit date: | 2021-09-18 | | Release date: | 2021-11-17 | | Last modified: | 2025-06-04 | | Method: | ELECTRON MICROSCOPY (2.54 Å) | | Cite: | Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
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8V6U
 | | 5HT2AR-miniGq heterotrimer in complex with a novel agonist obtained from large scale docking | | Descriptor: | 4-{(3R)-1-[(1R)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol, 5-hydroxytryptamine receptor 2A, G protein alpha-subunit q (Gi2-mini-Gq chimera), ... | | Authors: | Gumpper, R.H, Wang, L, Kapolka, N, Skiniotis, G, Roth, B.L. | | Deposit date: | 2023-12-03 | | Release date: | 2024-05-29 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | AlphaFold2 structures guide prospective ligand discovery.
Science, 384, 2024
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8UTD
 | | CryoEM Structure of HCA2-Gi1 in complex with MK-1903 | | Descriptor: | (4aR,5aR)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole-3-carboxylic acid, 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: | Krumm, B.E, Kang, H.J, Diberto, J.F, Kapolka, N.J, Gumpper, R.H, Olsen, R.H.J, Huang, X.P, Zhang, S, Fay, J.F, Roth, B.L. | | Deposit date: | 2023-10-30 | | Release date: | 2025-02-26 | | Last modified: | 2025-05-14 | | Method: | ELECTRON MICROSCOPY (3.24 Å) | | Cite: | Structure-guided design of a peripherally restricted chemogenetic system.
Cell, 187, 2024
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8UUJ
 | | CryoEM Structure of HCA2 DREADD Gi1 in complex with FCH-2296413 | | Descriptor: | (3M,4aR,5aR)-3-(1H-tetrazol-5-yl)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole, 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: | Krumm, B.E, Kang, H.J, Diberto, J.F, Kapolka, N.J, Gumpper, R.H, Olsen, R.H.J, Huang, X.P, Zhang, S, Fay, J.F, Roth, B.L. | | Deposit date: | 2023-11-01 | | Release date: | 2025-02-26 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (2.62 Å) | | Cite: | Structure-guided design of a peripherally restricted chemogenetic system.
Cell, 187, 2024
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8VY9
 | | CryoEM structure of Ggust-coupled TAS2R14 with cholesterol and an intracellular tastant | | Descriptor: | 4-methyl-N-[(2M)-2-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Kim, Y, Gumpper, R.H, Roth, B.L. | | Deposit date: | 2024-02-07 | | Release date: | 2024-04-03 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (2.88 Å) | | Cite: | Bitter taste receptor activation by cholesterol and an intracellular tastant.
Nature, 628, 2024
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8VY7
 | | CryoEM structure of Gi-coupled TAS2R14 with cholesterol and an intracellular tastant | | Descriptor: | 4-methyl-N-[(2M)-2-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Kim, Y, Gumpper, R.H, Roth, B.L. | | Deposit date: | 2024-02-07 | | Release date: | 2024-04-03 | | Last modified: | 2025-05-14 | | Method: | ELECTRON MICROSCOPY (2.68 Å) | | Cite: | Bitter taste receptor activation by cholesterol and an intracellular tastant.
Nature, 628, 2024
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6ME2
 | | XFEL crystal structure of human melatonin receptor MT1 in complex with ramelteon | | Descriptor: | DI(HYDROXYETHYL)ETHER, N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide, OLEIC ACID, ... | | Authors: | Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V. | | Deposit date: | 2018-09-05 | | Release date: | 2019-04-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
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6ME4
 | | XFEL crystal structure of human melatonin receptor MT1 in complex with 2-iodomelatonin | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide, ... | | Authors: | Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V. | | Deposit date: | 2018-09-05 | | Release date: | 2019-04-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
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6ME9
 | | XFEL crystal structure of human melatonin receptor MT2 in complex with ramelteon | | Descriptor: | N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide, Soluble cytochrome b562,Melatonin receptor type 1B,Rubredoxin, ZINC ION | | Authors: | Johansson, L.C, Stauch, B, McCorvy, J, Han, G.W, Patel, N, Batyuk, A, Gati, C, Li, C, Grandner, J, Hao, S, Olsen, R.H.J, Tribo, A.R, Zaare, S, Zhu, L, Zatsepin, N.A, Weierstall, U, Liu, W, Roth, B.L, Katritch, V, Cherezov, V. | | Deposit date: | 2018-09-05 | | Release date: | 2019-04-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | XFEL structures of the human MT2melatonin receptor reveal the basis of subtype selectivity.
Nature, 569, 2019
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7LJC
 | | Allosteric modulator LY3154207 binding to SKF-81297-bound dopamine receptor 1 in complex with miniGs protein | | Descriptor: | (1R)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, ... | | Authors: | Zhuang, Y, Krumm, B, Zhang, H, Zhou, X.E, Wang, Y, Guo, J, Huang, X.-P, Liu, Y, Wang, L, Cheng, X, Jiang, Y, Jiang, H, Melcher, K, Zhang, C, Yi, W, Roth, B.L, Zhang, Y, Xu, H.E. | | Deposit date: | 2021-01-28 | | Release date: | 2021-03-03 | | Last modified: | 2025-05-14 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Mechanism of dopamine binding and allosteric modulation of the human D1 dopamine receptor.
Cell Res., 31, 2021
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7LJD
 | | Allosteric modulator LY3154207 binding to dopamine-bound dopamine receptor 1 in complex with miniGs protein | | Descriptor: | 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, D(1A) dopamine receptor, ... | | Authors: | Zhuang, Y, Krumm, B, Zhang, H, Zhou, X.E, Wang, Y, Guo, J, Huang, X.-P, Liu, Y, Wang, L, Cheng, X, Jiang, Y, Jiang, H, Melcher, K, Zhang, C, Yi, W, Roth, B.L, Zhang, Y, Xu, H.E. | | Deposit date: | 2021-01-28 | | Release date: | 2021-03-03 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Mechanism of dopamine binding and allosteric modulation of the human D1 dopamine receptor.
Cell Res., 31, 2021
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7ZL9
 | | Crystal structure of human GPCR Niacin receptor (HCA2) | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DI(HYDROXYETHYL)ETHER, Hydroxycarboxylic acid receptor 2,Soluble cytochrome b562, ... | | Authors: | Yang, Y, Kang, H.J, Gao, R.G, Wang, J.J, Han, G.W, FiBerto, J.F, Wu, L.J, Tong, J.H, Qu, L, Wu, Y.R, Pileski, R, Li, X.M, Zhang, X.C, Zhao, S.W, Kenakin, T, Wang, Q, Stevens, R.C, Peng, W, Roth, B.L, Rao, Z.H, Liu, Z.J. | | Deposit date: | 2022-04-14 | | Release date: | 2023-04-12 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural insights into the human niacin receptor HCA2-G i signalling complex.
Nat Commun, 14, 2023
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7ZLY
 | | Crystal structure of human GPCR Niacin receptor (HCA2) expressed from Spodoptera frugiperda | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Hydroxycarboxylic acid receptor 2,Soluble cytochrome b562, OLEIC ACID | | Authors: | Yang, Y, Kang, H.J, Gao, R.G, Wang, J.J, FiBerto, J.F, Wu, L.J, Tong, J.H, Han, G.W, Qu, L, Wu, Y.R, Pileski, R, Li, X.M, Zhang, X.C, Zhao, S.W, Kenakin, T, Wang, Q, Stevens, R.C, Peng, W, Roth, B.L, Rao, Z.H, Liu, Z.J. | | Deposit date: | 2022-04-17 | | Release date: | 2023-04-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural insights into the human niacin receptor HCA2-G i signalling complex.
Nat Commun, 14, 2023
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9CIB
 | | CryoEM Structure of HCA2 DREADD Gi1 in complex with FCH-2296413 (Local Refinement) | | Descriptor: | (3M,4aR,5aR)-3-(1H-tetrazol-5-yl)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole, Hydroxycarboxylic acid receptor 2 | | Authors: | Krumm, B.E, Kang, H.J, Diberto, J.F, Kapolka, N.J, Gumpper, R.H, Olsen, R.H.J, Huang, X.P, Zhang, S, Fay, J.F, Roth, B.L. | | Deposit date: | 2024-07-03 | | Release date: | 2025-05-14 | | Method: | ELECTRON MICROSCOPY (2.62 Å) | | Cite: | Structure-guided design of a peripherally restricted chemogenetic system.
Cell, 187, 2024
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8YRG
 | | CryoEM structure of fospropofol-bound MRGPRX4-Gq complex | | Descriptor: | Gs-mini-Gq chimera, 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: | Cao, C, Fay, J.F, Roth, B.L. | | Deposit date: | 2024-03-21 | | Release date: | 2024-05-22 | | Last modified: | 2025-06-18 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | MRGPRX4 mediates phospho-drug-associated pruritus in a humanized mouse model.
Sci Transl Med, 16, 2024
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9DQH
 | | CryoEM structure of Gq-coupled MRGPRD with a new agonist EP-2825 | | Descriptor: | 2-({1-[2-(4-chlorophenyl)-2-methylpropanoyl]piperidin-4-yl}amino)-5,6,7,8-tetrahydroquinazolin-4(3H)-one, Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Cao, C, Wang, C, Liu, Y, Fay, J.F, Roth, B.L. | | Deposit date: | 2024-09-24 | | Release date: | 2024-12-11 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (2.92 Å) | | Cite: | High-affinity agonists reveal recognition motifs for the MRGPRD GPCR.
Cell Rep, 43, 2024
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9DQJ
 | | CryoEM structure of Gq-coupled MRGPRD with a new agonist EP-3945 | | Descriptor: | 2-({1-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]piperidin-4-yl}amino)quinazolin-4(3H)-one, 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: | Cao, C, Wang, C, Liu, Y, Fay, J.F, Roth, B.L. | | Deposit date: | 2024-09-24 | | Release date: | 2024-12-11 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | High-affinity agonists reveal recognition motifs for the MRGPRD GPCR.
Cell Rep, 43, 2024
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9ASA
 | | Global reconstruction of 5-HT2AR bound to RS130-180 in complex with a mini-Gq protein and scFv16 obtained by cryo-electron microscopy (cryoEM) | | Descriptor: | 2,5-dimethoxy-N,N-dimethyl-4-{2-[({2-[(prop-2-yn-1-yl)oxy]phenyl}methyl)amino]ethyl}aniline, 5-hydroxytryptamine receptor 2A, G subunit q (Gi2-mini-Gq chimeric), ... | | Authors: | Gumpper, R.H, Fay, J.F, Roth, B.L. | | Deposit date: | 2024-02-24 | | Release date: | 2025-04-02 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | The structural diversity of psychedelic drug actions revealed.
Nat Commun, 16, 2025
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