9MQI
 
 | | Inactive Mu-Opioid Receptor with Nb6M, NabFab, and isoquinuclidine compound #020_E1 | | Descriptor: | Mu-type opioid receptor, NabFab Heavy Chain, NabFab Light Chain, ... | | Authors: | Kim, J.Y, Vigneron, S.F, Billesbolle, C, Manglik, A, Shoichet, B.K. | | Deposit date: | 2025-01-03 | | Release date: | 2025-02-12 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Docking 14 million virtual isoquinuclidines against the mu and kappa opioid receptors reveals dual antagonists-inverse agonists with reduced withdrawal effects.
Biorxiv, 2025
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9MQL
 | | Locally-Refined Inactive Kappa-Opioid Receptor with Nb6M, NabFab, and isoquinuclidine compound #020_E1 | | Descriptor: | Kappa-Opioid Receptor, methyl (1S,3R,4S,6S,8M)-2-[(1-ethyl-1H-pyrazol-4-yl)methyl]-8-(3-hydroxyphenyl)-3,4-dimethyl-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate | | Authors: | Kim, J.Y, Vigneron, S.F, Billesbolle, C, Manglik, A, Shoichet, B.K. | | Deposit date: | 2025-01-03 | | Release date: | 2025-02-12 | | Last modified: | 2025-03-12 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | Docking 14 million virtual isoquinuclidines against the mu and kappa opioid receptors reveals dual antagonists-inverse agonists with reduced withdrawal effects.
Biorxiv, 2025
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9MQK
 | | Inactive Kappa-Opioid Receptor with Nb6M, NabFab, and isoquinuclidine compound #020_E1 | | Descriptor: | Kappa-Opioid Receptor, NabFab Heavy Chain, NabFab Light Chain, ... | | Authors: | Kim, J.Y, Vigneron, S.F, Billesbolle, C, Manglik, A, Shoichet, B.K. | | Deposit date: | 2025-01-03 | | Release date: | 2025-02-12 | | Last modified: | 2025-03-12 | | Method: | ELECTRON MICROSCOPY (3.18 Å) | | Cite: | Docking 14 million virtual isoquinuclidines against the mu and kappa opioid receptors reveals dual antagonists-inverse agonists with reduced withdrawal effects.
Biorxiv, 2025
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9MQJ
 | | Locally-refined Inactive Mu-Opioid Receptor with Nb6M, NabFab, and isoquinuclidine compound #020_E1 | | Descriptor: | Mu-type opioid receptor, methyl (1S,3R,4S,6S,8M)-2-[(1-ethyl-1H-pyrazol-4-yl)methyl]-8-(3-hydroxyphenyl)-3,4-dimethyl-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate | | Authors: | Kim, J.Y, Vigneron, S.F, Billesbolle, C, Manglik, A, Shoichet, B.K. | | Deposit date: | 2025-01-03 | | Release date: | 2025-02-12 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Docking 14 million virtual isoquinuclidines against the mu and kappa opioid receptors reveals dual antagonists-inverse agonists with reduced withdrawal effects.
Biorxiv, 2025
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9MQH
 | | Inactive Mu-Opioid Receptor with Nb6M, NabFab, and isoquinuclidine compound #33 | | Descriptor: | Mu-type opioid receptor | | Authors: | Kim, J.Y, Vigneron, S.F, Billesbolle, C, Manglik, A, Shoichet, B.K. | | Deposit date: | 2025-01-03 | | Release date: | 2025-02-12 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Docking 14 million virtual isoquinuclidines against the mu and kappa opioid receptors reveals dual antagonists-inverse agonists with reduced withdrawal effects.
Biorxiv, 2025
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9L3Z
 | | Cryo-EM structure of the inactive chemokine-like receptor 1 (CMKLR1) | | Descriptor: | Chemerin-like receptor 1,Soluble cytochrome b562, LRH7-C2, The heavy chain of anti-BRIL Fab, ... | | Authors: | Zhu, Y, He, M, Wu, B, Zhao, Q. | | Deposit date: | 2024-12-19 | | Release date: | 2025-03-12 | | Last modified: | 2025-06-11 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural insights into the distinct ligand recognition and signaling of the chemerin receptors CMKLR1 and GPR1.
Protein Cell, 16, 2025
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5O9H
 | | Crystal structure of thermostabilised human C5a anaphylatoxin chemotactic receptor 1 (C5aR) in complex with NDT9513727 | | Descriptor: | 1-(1,3-benzodioxol-5-yl)-~{N}-(1,3-benzodioxol-5-ylmethyl)-~{N}-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]methanamine, C5a anaphylatoxin chemotactic receptor 1, CITRIC ACID, ... | | Authors: | Robertson, N, Rappas, M, Dore, A.S, Brown, J, Bottegoni, G, Koglin, M, Cansfield, J, Jazayeri, A, Cooke, R.M, Marshall, F.H. | | Deposit date: | 2017-06-19 | | Release date: | 2018-01-10 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of the complement C5a receptor bound to the extra-helical antagonist NDT9513727.
Nature, 553, 2018
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5YHL
 | | Crystal structure of the human prostaglandin E receptor EP4 in complex with Fab and an antagonist Br-derivative | | Descriptor: | 4-[2-[[(2R)-2-(4-bromanylnaphthalen-1-yl)propanoyl]amino]-4-cyano-phenyl]butanoic acid, Heavy chain of Fab fragment, Light chain of Fab fragment, ... | | Authors: | Toyoda, Y, Morimoto, K, Suno, R, Horita, S, Iwata, S, Kobayashi, T. | | Deposit date: | 2017-09-28 | | Release date: | 2018-12-05 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (4.2 Å) | | Cite: | Ligand binding to human prostaglandin E receptor EP4at the lipid-bilayer interface.
Nat. Chem. Biol., 15, 2019
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5YWY
 | | Crystal structure of the human prostaglandin E receptor EP4 in complex with Fab and ONO-AE3-208 | | Descriptor: | 4-[4-cyano-2-[[(2R)-2-(4-fluoranylnaphthalen-1-yl)propanoyl]amino]phenyl]butanoic acid, Heavy chain of Fab fragment, Light chain of Fab fragment, ... | | Authors: | Toyoda, Y, Morimoto, K, Suno, R, Horita, S, Iwata, S, Kobayashi, T. | | Deposit date: | 2017-11-30 | | Release date: | 2018-12-05 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Ligand binding to human prostaglandin E receptor EP4at the lipid-bilayer interface.
Nat. Chem. Biol., 15, 2019
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6N48
 | | Structure of beta2 adrenergic receptor bound to BI167107, Nanobody 6B9, and a positive allosteric modulator | | Descriptor: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Camelid Antibody Fragment, ... | | Authors: | Liu, X, Masoudi, A, Kahsai, A.W, Huang, L.Y, Pani, B, Hirata, K, Ahn, S, Lefkowitz, R.J, Kobilka, B.K. | | Deposit date: | 2018-11-17 | | Release date: | 2019-06-26 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Mechanism of beta2AR regulation by an intracellular positive allosteric modulator.
Science, 364, 2019
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5V54
 | | Crystal structure of 5-HT1B receptor in complex with methiothepin | | Descriptor: | 1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine, 5-hydroxytryptamine receptor 1B,OB-1 fused 5-HT1b receptor,5-hydroxytryptamine receptor 1B | | Authors: | Yin, W.C, Zhou, X.E, Yang, D, de Waal, P, Wang, M.T, Dai, A, Cai, X, Huang, C.Y, Liu, P, Yin, Y, Liu, B, Caffrey, M, Melcher, K, Xu, Y, Wang, M.W, Xu, H.E, Jiang, Y. | | Deposit date: | 2017-03-13 | | Release date: | 2018-02-07 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | A common antagonistic mechanism for class A GPCRs revealed by the structure of the human 5-HT1B serotonin receptor bound to an antagonist
Cell Discov, 2018
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5WB1
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6IGL
 | | Crystal Structure of human ETB receptor in complex with IRL1620 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CITRIC ACID, Endothelin receptor type B,Endolysin,Endothelin receptor type B, ... | | Authors: | Shihoya, W, Izume, T, Inoue, A, Yamashita, K, kadji, F.M.N, Hirata, K, Aoki, J, Nishizawa, T, Nureki, O. | | Deposit date: | 2018-09-25 | | Release date: | 2018-11-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structures of human ETBreceptor provide mechanistic insight into receptor activation and partial activation.
Nat Commun, 9, 2018
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6I9K
 | | Crystal structure of Jumping Spider Rhodopsin-1 bound to 9-cis retinal | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Kumopsin1, RETINAL | | Authors: | Varma, N, Mutt, E, Muehle, J, Panneels, V, Terakita, A, Deupi, X, Nogly, P, Schertler, F.X.G, Lesca, E. | | Deposit date: | 2018-11-23 | | Release date: | 2019-07-03 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.145 Å) | | Cite: | Crystal structure of jumping spider rhodopsin-1 as a light sensitive GPCR.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6IBB
 | | Crystal structure of the rat isoform of the succinate receptor SUCNR1 (GPR91) in complex with a nanobody | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S},5~{R})-hexane-2,5-diol, CHOLESTEROL, ... | | Authors: | Haffke, M, Jaakola, V.-P. | | Deposit date: | 2018-11-29 | | Release date: | 2019-08-14 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structural basis of species-selective antagonist binding to the succinate receptor.
Nature, 574, 2019
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6KR8
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6KUY
 | | Crystal structure of the alpha2A adrenergic receptor in complex with a partial agonist | | Descriptor: | (2~{S})-4-fluoranyl-2-(1~{H}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole, Alpha2A adrenergic receptor, DI(HYDROXYETHYL)ETHER | | Authors: | Qu, L, Zhou, Q.T, Wu, D, Zhao, S.W. | | Deposit date: | 2019-09-02 | | Release date: | 2019-12-04 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structures of the alpha2A adrenergic receptor in complex with a partial agonist
To Be Published
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6PT2
 | | Crystal structure of the active delta opioid receptor in complex with the peptide agonist KGCHM07 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, Delta opioid receptor, ... | | Authors: | Claff, T, Yu, J, Blais, V, Patel, N, Martin, C, Wu, L, Han, G.W, Holleran, B.J, Van der Poorten, O, Hanson, M.A, Sarret, P, Gendron, L, Cherezov, V, Katritch, V, Ballet, S, Liu, Z, Muller, C.E, Stevens, R.C. | | Deposit date: | 2019-07-14 | | Release date: | 2019-12-11 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Elucidating the active delta-opioid receptor crystal structure with peptide and small-molecule agonists.
Sci Adv, 5, 2019
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6PT3
 | | Crystal structure of the active delta opioid receptor in complex with the small molecule agonist DPI-287 | | Descriptor: | 4-[(R)-[(2S,5R)-4-benzyl-2,5-dimethylpiperazin-1-yl](3-hydroxyphenyl)methyl]-N,N-diethylbenzamide, Delta opioid receptor | | Authors: | Claff, T, Yu, J, Blais, V, Patel, N, Martin, C, Wu, L, Han, G.W, Holleran, B.J, Van der Poorten, O, Hanson, M.A, Sarret, P, Gendron, L, Cherezov, V, Katritch, V, Ballet, S, Liu, Z, Muller, C.E, Stevens, R.C. | | Deposit date: | 2019-07-14 | | Release date: | 2019-12-11 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Elucidating the active delta-opioid receptor crystal structure with peptide and small-molecule agonists.
Sci Adv, 5, 2019
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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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9EAJ
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9EAI
 | | Structure of nanobody AT206 in complex with the losartan-bound angiotensin II type I receptor (AT1R) | | Descriptor: | BAG2 Anti-BRIL Fab Heavy Chain, BAG2 Anti-BRIL Fab Light Chain, CHOLESTEROL, ... | | Authors: | Skiba, M.A, Liu, J, Kruse, A.C. | | Deposit date: | 2024-11-11 | | Release date: | 2025-03-05 | | Last modified: | 2025-03-26 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Epitope-directed selection of GPCR nanobody ligands with evolvable function.
Proc.Natl.Acad.Sci.USA, 122, 2025
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9EAH
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9DGI
 | | Cannabinoid receptor 1-Gi complex with novel ligand | | Descriptor: | Cannabinoid receptor 1, methyl (2R)-2-({(1M)-5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonyl}amino)-2-(thiophen-2-yl)propanoate | | Authors: | Tummino, T.A, Iliopoulos-Tsoutsouvas, C, Braz, J.M, O'Brien, E.S, Krishna Kumar, K, Makriyannis, M, Basbaum, A.I, Shoichet, B.K. | | Deposit date: | 2024-09-02 | | Release date: | 2025-04-30 | | Last modified: | 2025-05-07 | | Method: | ELECTRON MICROSCOPY (3.35 Å) | | Cite: | Virtual library docking for cannabinoid-1 receptor agonists with reduced side effects.
Nat Commun, 16, 2025
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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: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (2.56 Å) | | Cite: | Molecular basis for selective activation of DREADD-based chemogenetics.
Nature, 612, 2022
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