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: | 2023-10-11 | | 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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2N2F
 | | Solution NMR structure of Dynorphin 1-13 bound to Kappa Opioid Receptor | | Descriptor: | Dynorphin A(1-13) | | Authors: | O'Connor, C, White, K, Doncescu, N, Didenko, T, Roth, B.L, Czaplicki, G, Stevens, R.C, Wuthrich, K, Milon, A. | | Deposit date: | 2015-05-06 | | Release date: | 2015-09-09 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR structure and dynamics of the agonist dynorphin peptide bound to the human kappa opioid receptor.
Proc.Natl.Acad.Sci.USA, 112, 2015
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5TVN
 | | Crystal structure of the LSD-bound 5-HT2B receptor | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, CHOLESTEROL, ... | | Authors: | Wacker, D, Wang, S, McCorvy, J.D, Betz, R.M, Venkatakrishnan, A.J, Levit, A, Lansu, K, Schools, Z.L, Che, T, Nichols, D.E, Shoichet, B.K, Dror, R.O, Roth, B.L. | | Deposit date: | 2016-11-09 | | Release date: | 2017-02-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structure of an LSD-Bound Human Serotonin Receptor.
Cell, 168, 2017
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5WIU
 | | Structure of the human D4 Dopamine receptor in complex with Nemonapride | | Descriptor: | D(4) dopamine receptor, soluble cytochrome b562 chimera, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Wacker, D, Wang, S, Levit, A, Che, T, Betz, R.M, McCorvy, J.D, Venkatakrishnan, A.J, Huang, X.-P, Dror, R.O, Shoichet, B.K, Roth, B.L. | | Deposit date: | 2017-07-20 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.962 Å) | | Cite: | D4 dopamine receptor high-resolution structures enable the discovery of selective agonists.
Science, 358, 2017
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5WIV
 | | Structure of the sodium-bound human D4 Dopamine receptor in complex with Nemonapride | | Descriptor: | D(4) dopamine receptor, soluble cytochrome b562 chimera, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Wacker, D, Wang, S, Levit, A, Che, T, Betz, R.M, McCorvy, J.D, Venkatakrishnan, A.J, Huang, X.-P, Dror, R.O, Shoichet, B.K, Roth, B.L. | | Deposit date: | 2017-07-20 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.143 Å) | | Cite: | D4 dopamine receptor high-resolution structures enable the discovery of selective agonists.
Science, 358, 2017
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7SRS
 | | 5-HT2B receptor bound to LSD in complex with beta-arrestin1 obtained by cryo-electron microscopy (cryoEM) | | Descriptor: | (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 2B, ... | | Authors: | Barros-Alvarez, X, Cao, C, Panova, O, Roth, B.L, Skiniotis, G. | | Deposit date: | 2021-11-08 | | Release date: | 2022-09-21 | | Last modified: | 2022-10-19 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Signaling snapshots of a serotonin receptor activated by the prototypical psychedelic LSD.
Neuron, 110, 2022
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7SRR
 | | 5-HT2B receptor bound to LSD in complex with heterotrimeric mini-Gq protein obtained by cryo-electron microscopy (cryoEM) | | Descriptor: | (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, 5-hydroxytryptamine receptor 2B, G protein subunit q (Gi2-mini-Gq chimera), ... | | Authors: | Barros-Alvarez, X, Kim, K, Panova, O, Cao, C, Roth, B.L, Skiniotis, G. | | Deposit date: | 2021-11-08 | | Release date: | 2022-09-21 | | Last modified: | 2022-10-19 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Signaling snapshots of a serotonin receptor activated by the prototypical psychedelic LSD.
Neuron, 110, 2022
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7SRQ
 | | 5-HT2B receptor bound to LSD obtained by cryo-electron microscopy (cryoEM) | | Descriptor: | (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 2B | | Authors: | Barros-Alvarez, X, Cao, C, Panova, O, Roth, B.L, Skiniotis, G. | | Deposit date: | 2021-11-08 | | Release date: | 2022-09-21 | | Last modified: | 2022-10-19 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Signaling snapshots of a serotonin receptor activated by the prototypical psychedelic LSD.
Neuron, 110, 2022
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7TXT
 | | Structure of human serotonin transporter bound to small molecule '8090 in lipid nanodisc and NaCl | | Descriptor: | 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine, 15B8 Fab heavy chain, 15B8 Fab light chain, ... | | Authors: | Singh, I, Seth, A, Billesboelle, C.B, Braz, J, Rodriguiz, R.M, Roy, K, Bekele, B, Craik, V, Huang, X.P, Boytsov, D, Lak, P, O'Donnell, H, Sandtner, W, Roth, B.L, Basbaum, A.I, Wetsel, W.C, Manglik, A, Shoichet, B.K, Rudnick, G. | | Deposit date: | 2022-02-09 | | Release date: | 2023-03-15 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure-based discovery of conformationally selective inhibitors of the serotonin transporter.
Cell, 186, 2023
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8DPH
 | | 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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8DPF
 | | 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
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8DPI
 | | 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
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8DPG
 | | 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
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8DWC
 | | CryoEM structure of Gq-coupled MRGPRX1 with peptide agonist BAM8-22 | | 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: | Liu, Y, Cao, C, Fay, J.F, Roth, B.L. | | Deposit date: | 2022-08-01 | | Release date: | 2022-11-02 | | Last modified: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (2.87 Å) | | Cite: | Ligand recognition and allosteric modulation of the human MRGPRX1 receptor.
Nat.Chem.Biol., 19, 2023
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8DWH
 | | CryoEM structure of Gq-coupled MRGPRX1 with ligand Compound-16 | | 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: | Liu, Y, Cao, C, Fay, J.F, Roth, B.L. | | Deposit date: | 2022-08-01 | | Release date: | 2022-11-02 | | Last modified: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Ligand recognition and allosteric modulation of the human MRGPRX1 receptor.
Nat.Chem.Biol., 19, 2023
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8DWG
 | | CryoEM structure of Gq-coupled MRGPRX1 with peptide ligand BAM8-22 and positive allosteric modulator ML382 | | Descriptor: | 2-[(cyclopropanesulfonyl)amino]-N-(2-ethoxyphenyl)benzamide, Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Liu, Y, Cao, C, Fay, J.F, Roth, B.L. | | Deposit date: | 2022-08-01 | | Release date: | 2022-11-02 | | Last modified: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (2.71 Å) | | Cite: | Ligand recognition and allosteric modulation of the human MRGPRX1 receptor.
Nat.Chem.Biol., 19, 2023
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8E9Y
 | | CryoEM structure of miniGq-coupled hM3Dq in complex with CNO | | Descriptor: | 8-chloro-11-(4-methyl-4-oxo-4lambda~5~-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine, 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: | Zhang, S, Fay, J.F, Roth, B.L. | | Deposit date: | 2022-08-27 | | Release date: | 2022-11-30 | | Last modified: | 2022-12-21 | | Method: | ELECTRON MICROSCOPY (2.79 Å) | | Cite: | Molecular basis for selective activation of DREADD-based chemogenetics.
Nature, 612, 2022
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8EA0
 | | CryoEM structure of miniGq-coupled hM3R in complex with iperoxo (local refinement) | | Descriptor: | 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, CHOLESTEROL HEMISUCCINATE, Muscarinic acetylcholine receptor M3 | | Authors: | Zhang, S, Fay, J.F, Roth, B.L. | | Deposit date: | 2022-08-27 | | Release date: | 2022-11-30 | | Last modified: | 2022-12-21 | | Method: | ELECTRON MICROSCOPY (2.56 Å) | | Cite: | Molecular basis for selective activation of DREADD-based chemogenetics.
Nature, 612, 2022
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8E9X
 | | CryoEM structure of miniGo-coupled hM4Di in complex with DCZ | | Descriptor: | 11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine, 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: | Zhang, S, Fay, J.F, Roth, B.L. | | Deposit date: | 2022-08-27 | | Release date: | 2022-11-30 | | Last modified: | 2022-12-21 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Molecular basis for selective activation of DREADD-based chemogenetics.
Nature, 612, 2022
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8E9W
 | | CryoEM structure of miniGq-coupled hM3Dq in complex with DCZ | | Descriptor: | 11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine, 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: | Zhang, S, Fay, J.F, Roth, B.L. | | Deposit date: | 2022-08-27 | | Release date: | 2022-11-30 | | Last modified: | 2022-12-21 | | Method: | ELECTRON MICROSCOPY (2.69 Å) | | Cite: | Molecular basis for selective activation of DREADD-based chemogenetics.
Nature, 612, 2022
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8E9Z
 | | CryoEM structure of miniGq-coupled hM3R in complex with Iperoxo | | Descriptor: | 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, CHOLESTEROL HEMISUCCINATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zhang, S, Fay, J.F, Roth, B.L. | | Deposit date: | 2022-08-27 | | Release date: | 2022-11-30 | | Last modified: | 2022-12-21 | | Method: | ELECTRON MICROSCOPY (2.69 Å) | | Cite: | Molecular basis for selective activation of DREADD-based chemogenetics.
Nature, 612, 2022
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8F7S
 | | Gi bound delta-opioid receptor in complex with deltorphin | | Descriptor: | CHOLESTEROL, Delta-type opioid receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Wang, Y, Zhuang, Y, DiBerto, J.F, Zhou, X.E, Schmitz, G.P, Yuan, Q, Jain, M.K, Liu, W, Melcher, K, Jiang, Y, Roth, B.L, Xu, H.E. | | Deposit date: | 2022-11-20 | | Release date: | 2022-12-14 | | Last modified: | 2023-02-01 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structures of the entire human opioid receptor family.
Cell, 186, 2023
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8F7W
 | | Gi bound kappa-opioid receptor in complex with dynorphin | | Descriptor: | CHOLESTEROL, Dynorphin, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Wang, Y, Zhuang, Y, DiBerto, J.F, Zhou, X.E, Schmitz, G.P, Yuan, Q, Jain, M.K, Liu, W, Melcher, K, Jiang, Y, Roth, B.L, Xu, H.E. | | Deposit date: | 2022-11-20 | | Release date: | 2022-12-14 | | Last modified: | 2023-02-01 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | Structures of the entire human opioid receptor family.
Cell, 186, 2023
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8F7R
 | | Gi bound mu-opioid receptor in complex with endomorphin | | Descriptor: | CHOLESTEROL, 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: | Wang, Y, Zhuang, Y, DiBerto, J.F, Zhou, X.E, Schmitz, G.P, Yuan, Q, Jain, M.K, Liu, W, Melcher, K, Jiang, Y, Roth, B.L, Xu, H.E. | | Deposit date: | 2022-11-20 | | Release date: | 2022-12-14 | | Last modified: | 2023-02-01 | | Method: | ELECTRON MICROSCOPY (3.28 Å) | | Cite: | Structures of the entire human opioid receptor family.
Cell, 186, 2023
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8F7Q
 | | Gi bound mu-opioid receptor in complex with beta-endorphin | | Descriptor: | Beta-endorphin, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Wang, Y, Zhuang, Y, DiBerto, J.F, Zhou, X.E, Schmitz, G.P, Yuan, Q, Jain, M.K, Liu, W, Melcher, K, Jiang, Y, Roth, B.L, Xu, H.E. | | Deposit date: | 2022-11-20 | | Release date: | 2022-12-14 | | Last modified: | 2023-02-01 | | Method: | ELECTRON MICROSCOPY (3.22 Å) | | Cite: | Structures of the entire human opioid receptor family.
Cell, 186, 2023
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