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6VI4
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BU of 6vi4 by Molmil
Nanobody-Enabled Monitoring of Kappa Opioid Receptor States
Descriptor: (3R)-7-hydroxy-N-{(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, CHOLESTEROL, Kappa opioid receptor, ...
Authors:Che, T, Roth, B.L.
Deposit date:2020-01-11
Release date:2020-03-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Nanobody-enabled monitoring of kappa opioid receptor states.
Nat Commun, 11, 2020
7S8L
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BU of 7s8l by Molmil
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:2021-12-15
Method:ELECTRON MICROSCOPY (2.45 Å)
Cite:Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
7S8N
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BU of 7s8n by Molmil
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:2021-12-15
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
7XK2
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BU of 7xk2 by Molmil
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:2023-12-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into the human niacin receptor HCA2-G i signalling complex.
Nat Commun, 14, 2023
6B73
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BU of 6b73 by Molmil
Crystal Structure of a nanobody-stabilized active state of the kappa-opioid receptor
Descriptor: CHOLESTEROL, N-[(5alpha,6beta)-17-(cyclopropylmethyl)-3-hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-yl]-3-iodobenzamide, Nanobody, ...
Authors:Che, T, Majumdar, S, Zaidi, S.A, Kormos, C, McCorvy, J.D, Wang, S, Mosier, P.D, Uprety, R, Vardy, E, Krumm, B.E, Han, G.W, Lee, M.Y, Pardon, E, Steyaert, J, Huang, X.P, Strachan, R.T, Tribo, A.R, Pasternak, G.W, Carroll, I.F, Stevens, R.C, Cherezov, V, Katritch, V, Wacker, D, Roth, B.L.
Deposit date:2017-10-03
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of the Nanobody-Stabilized Active State of the Kappa Opioid Receptor.
Cell, 172, 2018
7S8O
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BU of 7s8o by Molmil
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:2021-12-15
Method:ELECTRON MICROSCOPY (2.58 Å)
Cite:Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
7S8P
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BU of 7s8p by Molmil
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:2021-12-15
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
7S8M
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BU of 7s8m by Molmil
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:2021-12-15
Method:ELECTRON MICROSCOPY (2.54 Å)
Cite:Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
8VY9
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BU of 8vy9 by Molmil
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:2024-04-24
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Bitter taste receptor activation by cholesterol and an intracellular tastant.
Nature, 628, 2024
8YRG
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BU of 8yrg by Molmil
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
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:MRGPRX4 mediates phospho-drug-associated pruritus in a humanized mouse model.
Sci Transl Med, 16, 2024
8V6U
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BU of 8v6u by Molmil
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:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:AlphaFold2 structures guide prospective ligand discovery.
Science, 384, 2024
8VY7
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BU of 8vy7 by Molmil
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:2024-04-24
Method:ELECTRON MICROSCOPY (2.68 Å)
Cite:Bitter taste receptor activation by cholesterol and an intracellular tastant.
Nature, 628, 2024
6WH4
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BU of 6wh4 by Molmil
Crystal structure of HTR2A with inverse agonist
Descriptor: 1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562 fusion, CHOLESTEROL, ...
Authors:Kim, K.L, Che, T, Krumm, B.E, Roth, B.L.
Deposit date:2020-04-07
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure of a Hallucinogen-Activated Gq-Coupled 5-HT 2A Serotonin Receptor
Cell(Cambridge,Mass.), 182, 2020
6WGT
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BU of 6wgt by Molmil
Crystal structure of HTR2A with hallucinogenic agonist
Descriptor: (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562 fusion, CHOLESTEROL, ...
Authors:Kim, K.L, Che, T, Krumm, B.E, Roth, B.L.
Deposit date:2020-04-06
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure of a Hallucinogen-Activated Gq-Coupled 5-HT 2A Serotonin Receptor
Cell(Cambridge,Mass.), 182, 2020
8UWL
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BU of 8uwl by Molmil
5-HT2AR bound to Lisuride in complex with a mini-Gq protein and an active-state stabilizing single-chain variable fragment (scFv16) obtained by cryo-electron microscopy (cryoEM)
Descriptor: 5-hydroxytryptamine receptor 2A, G protein subunit q (Gi2-mini-Gq chimera), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Barros-Alvarez, X, Kim, K, Panova, O, Roth, B.L, Skiniotis, G.
Deposit date:2023-11-06
Release date:2024-05-29
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:AlphaFold2 structures guide prospective ligand discovery.
Science, 384, 2024
8U02
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BU of 8u02 by Molmil
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
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:A neurodevelopmental disorder mutation locks G proteins in the transitory pre-activated state.
Nat Commun, 15, 2024
8TZQ
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BU of 8tzq by Molmil
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
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A neurodevelopmental disorder mutation locks G proteins in the transitory pre-activated state.
Nat Commun, 15, 2024
7RAN
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BU of 7ran by Molmil
5-HT2AR bound to a novel agonist in complex with a mini-Gq protein and an active-state stabilizing single-chain variable fragment (scFv16) obtained by cryo-electron microscopy (cryoEM)
Descriptor: (3R)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,3,6-tetrahydropyridin-1-ium, 5-hydroxytryptamine receptor 2A, G protein subunit q (Gi2-mini-Gq chimera), ...
Authors:Barros-Alvarez, X, Kim, K, Panova, O, Roth, B.L, Skiniotis, G.
Deposit date:2021-07-02
Release date:2022-07-06
Last modified:2022-11-02
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Bespoke library docking for 5-HT 2A receptor agonists with antidepressant activity.
Nature, 610, 2022
7LJC
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BU of 7ljc by Molmil
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:2021-05-12
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Mechanism of dopamine binding and allosteric modulation of the human D1 dopamine receptor.
Cell Res., 31, 2021
7LJD
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BU of 7ljd by Molmil
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:2021-05-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mechanism of dopamine binding and allosteric modulation of the human D1 dopamine receptor.
Cell Res., 31, 2021
4N6H
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BU of 4n6h by Molmil
1.8 A Structure of the human delta opioid 7TM receptor (PSI Community Target)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol, L(+)-TARTARIC ACID, ...
Authors:Fenalti, G, Giguere, P.M, Katritch, V, Huang, X.-P, Thompson, A.A, Han, G.W, Cherezov, V, Roth, B.L, Stevens, R.C, GPCR Network (GPCR)
Deposit date:2013-10-12
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular control of delta-opioid receptor signalling.
Nature, 506, 2014
8DPG
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BU of 8dpg by Molmil
Cryo-EM structure of the 5HT2C receptor (INI isoform) bound to psilocin
Descriptor: 3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-ol, 5-hydroxytryptamine receptor 2C, Antibody fragment scFv16, ...
Authors:Gumpper, R.H, Fay, J.F, Roth, B.L.
Deposit date:2022-07-15
Release date:2022-08-24
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Molecular insights into the regulation of constitutive activity by RNA editing of 5HT 2C serotonin receptors.
Cell Rep, 40, 2022
8DPI
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BU of 8dpi by Molmil
Cryo-EM structure of the 5HT2C receptor (VSV isoform) bound to lorcaserin
Descriptor: (1R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine, 5-hydroxytryptamine receptor 2C, Antibody fragment scFv16, ...
Authors:Gumpper, R.H, Fay, J.F, Roth, B.L.
Deposit date:2022-07-15
Release date:2022-08-24
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Molecular insights into the regulation of constitutive activity by RNA editing of 5HT 2C serotonin receptors.
Cell Rep, 40, 2022
8DPF
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BU of 8dpf by Molmil
Cryo-EM structure of the 5HT2C receptor (INI isoform) bound to lorcaserin
Descriptor: (1R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine, 5-hydroxytryptamine receptor 2C, Antibody fragment scFv16, ...
Authors:Gumpper, R.H, Fay, J.F, Roth, B.L.
Deposit date:2022-07-15
Release date:2022-08-24
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Molecular insights into the regulation of constitutive activity by RNA editing of 5HT 2C serotonin receptors.
Cell Rep, 40, 2022
8DPH
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BU of 8dph by Molmil
Cryo-EM structure of the 5HT2C receptor (VGV isoform) bound to lorcaserin
Descriptor: (1R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine, 5-hydroxytryptamine receptor 2C, Antibody fragment scFv16, ...
Authors:Gumpper, R.H, Fay, J.F, Roth, B.L.
Deposit date:2022-07-15
Release date:2022-08-24
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular insights into the regulation of constitutive activity by RNA editing of 5HT 2C serotonin receptors.
Cell Rep, 40, 2022

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