9GL2
 
 | | Befiradol-bound serotonin 5-HT1A receptor - Gs Protein Complex | | Descriptor: | (2R)-1-(heptadecanoyloxy)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, (3-chloranyl-4-fluoranyl-phenyl)-[4-fluoranyl-4-[[(5-methylpyridin-2-yl)methylamino]methyl]piperidin-1-yl]methanone, 5-hydroxytryptamine receptor 1A, ... | | Authors: | Schneider, J, Gmeiner, P, Boettcher, B, Rasmussen, T. | | Deposit date: | 2024-08-26 | | Release date: | 2025-07-02 | | Last modified: | 2025-07-09 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Discovery of a functionally selective serotonin receptor (5-HT 1A R) agonist for the treatment of pain.
Sci Adv, 11, 2025
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8PKM
 | | Befiradol-bound serotonin 5-HT1A receptor - Gi Protein Complex | | Descriptor: | (2R)-1-(heptadecanoyloxy)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, (3-chloranyl-4-fluoranyl-phenyl)-[4-fluoranyl-4-[[(5-methylpyridin-2-yl)methylamino]methyl]piperidin-1-yl]methanone, 5-hydroxytryptamine receptor 1A, ... | | Authors: | Schneider, J, Gmeiner, P, Hove, T.T, Rasmussen, T, Boettcher, B. | | Deposit date: | 2023-06-27 | | Release date: | 2024-05-29 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Discovery of a functionally selective serotonin receptor (5-HT 1A R) agonist for the treatment of pain.
Sci Adv, 11, 2025
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8PJK
 | | ST171-bound serotonin 5-HT1A receptor - Gi Protein Complex | | Descriptor: | (2R)-1-(heptadecanoyloxy)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 5-hydroxytryptamine receptor 1A, 6-[3-[2-(2-methoxyphenoxy)ethylamino]propoxy]-4~{H}-1,4-benzoxazin-3-one, ... | | Authors: | Schneider, J, Gmeiner, P, Rasmussen, T, Boettcher, B. | | Deposit date: | 2023-06-23 | | Release date: | 2024-05-29 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Discovery of a functionally selective serotonin receptor (5-HT 1A R) agonist for the treatment of pain.
Sci Adv, 11, 2025
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6V9S
 | | Structure-based development of subtype-selective orexin 1 receptor antagonists | | Descriptor: | CHOLESTEROL, OLEIC ACID, Orexin receptor type 1,GlgA glycogen synthase chimera, ... | | Authors: | Hellmann, J, Drabek, M, Yin, J, Huebner, H, Kraus, F, Proell, T, Weikert, D, Kolb, P, Rosenbaum, D.M, Gmeiner, P. | | Deposit date: | 2019-12-16 | | Release date: | 2020-07-15 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure-based development of a subtype-selective orexin 1 receptor antagonist.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5ZHP
 | | M3 muscarinic acetylcholine receptor in complex with a selective antagonist | | Descriptor: | (1R,2R,4S,5S,7s)-7-({[4-fluoro-2-(thiophen-2-yl)phenyl]carbamoyl}oxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium, CITRIC ACID, HEXAETHYLENE GLYCOL, ... | | Authors: | Liu, H, Hofmann, J, Fish, I, Schaake, B, Eitel, K, Bartuschat, A, Kaindl, J, Rampp, H, Banerjee, A, Hubner, H, Clark, M.J, Vincent, S.G, Fisher, J, Heinrich, M, Hirata, K, Liu, X, Sunahara, R.K, Shoichet, B.K, Kobilka, B.K, Gmeiner, P. | | Deposit date: | 2018-03-13 | | Release date: | 2018-11-28 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure-guided development of selective M3 muscarinic acetylcholine receptor antagonists
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4QKX
 | | Structure of beta2 adrenoceptor bound to a covalent agonist and an engineered nanobody | | Descriptor: | 4-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethyl}amino)ethyl]benzene-1,2-diol, Beta-2 adrenergic receptor, R9 protein, ... | | Authors: | Weichert, D, Kruse, A.C, Manglik, A, Hiller, C, Zhang, C, Huebner, H, Kobilka, B.K, Gmeiner, P. | | Deposit date: | 2014-06-10 | | Release date: | 2014-07-23 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Covalent agonists for studying G protein-coupled receptor activation.
Proc.Natl.Acad.Sci.USA, 111, 2014
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5C1M
 | | Crystal structure of active mu-opioid receptor bound to the agonist BU72 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol, CHOLESTEROL, ... | | Authors: | Huang, W.J, Manglik, A, Venkatakrishnan, A.J, Laeremans, T, Feinberg, E.N, Sanborn, A.L, Kato, H.E, Livingston, K.E, Thorsen, T.S, Kling, R, Granier, S, Gmeiner, P, Husbands, S.M, Traynor, J.R, Weis, W.I, Steyaert, J, Dror, R.O, Kobilka, B.K. | | Deposit date: | 2015-06-15 | | Release date: | 2015-08-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structural insights into mu-opioid receptor activation.
Nature, 524, 2015
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7BU7
 | | Structure of human beta1 adrenergic receptor bound to BI-167107 and nanobody 6B9 | | Descriptor: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, ... | | Authors: | Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X. | | Deposit date: | 2020-04-04 | | Release date: | 2020-12-02 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR.
Cell Res., 31, 2021
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3PDS
 | | Irreversible Agonist-Beta2 Adrenoceptor Complex | | Descriptor: | 8-hydroxy-5-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(3-sulfanylpropoxy)phenyl]ethyl}amino)ethyl]quinolin-2(1H)-one, CHOLESTEROL, Fusion protein Beta-2 adrenergic receptor/Lysozyme, ... | | Authors: | Rosenbaum, D.M, Zhang, C, Lyons, J.A, Holl, R, Aragao, D, Arlow, D.H, Rasmussen, S.G.F, Choi, H.-J, DeVree, B.T, Sunahara, R.K, Chae, P.S, Gellman, S.H, Dror, R.O, Shaw, D.E, Weis, W.I, Caffrey, M, Gmeiner, P, Kobilka, B.K. | | Deposit date: | 2010-10-24 | | Release date: | 2011-01-12 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure and function of an irreversible agonist-beta(2) adrenoceptor complex
Nature, 469, 2011
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3FK7
 | | Crystal structure of TetR triple mutant (H64K, S135L, S138I) in complex with 4-ddma-atc | | Descriptor: | (4aS,12aS)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide, MAGNESIUM ION, Tetracycline repressor protein class B from transposon Tn10, ... | | Authors: | Klieber, M.A, Scholz, O, Lochner, S, Gmeiner, P, Hillen, W, Muller, Y.A. | | Deposit date: | 2008-12-16 | | Release date: | 2009-11-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Structural origins for selectivity and specificity in an engineered bacterial repressor-inducer pair.
Febs J., 276, 2009
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3FK6
 | | Crystal structure of TetR triple mutant (H64K, S135L, S138I) | | Descriptor: | Tetracycline repressor protein class B from transposon Tn10, Tetracycline repressor protein class D | | Authors: | Klieber, M.A, Scholz, O, Lochner, S, Gmeiner, P, Hillen, W, Muller, Y.A. | | Deposit date: | 2008-12-16 | | Release date: | 2009-10-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural origins for selectivity and specificity in an engineered bacterial repressor-inducer pair.
Febs J., 276, 2009
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4MQS
 | | Structure of active human M2 muscarinic acetylcholine receptor bound to the agonist iperoxo | | Descriptor: | 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, Muscarinic acetylcholine receptor M2, Nanobody 9-8 | | Authors: | Kruse, A.C, Ring, A.M, Manglik, A, Hu, J, Hu, K, Eitel, K, Huebner, H, Pardon, E, Valant, C, Sexton, P.M, Christopoulos, A, Felder, C.C, Gmeiner, P, Steyaert, J, Weis, W.I, Garcia, K.C, Wess, J, Kobilka, B.K. | | Deposit date: | 2013-09-16 | | Release date: | 2013-11-27 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Activation and allosteric modulation of a muscarinic acetylcholine receptor.
Nature, 504, 2013
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4MQT
 | | Structure of active human M2 muscarinic acetylcholine receptor bound to the agonist iperoxo and allosteric modulator LY2119620 | | Descriptor: | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, Muscarinic acetylcholine receptor M2, ... | | Authors: | Kruse, A.C, Ring, A.M, Manglik, A, Hu, J, Hu, K, Eitel, K, Huebner, H, Pardon, E, Valant, C, Sexton, P.M, Christopoulos, A, Felder, C.C, Gmeiner, P, Steyaert, J, Weis, W.I, Garcia, K.C, Wess, J, Kobilka, B.K. | | Deposit date: | 2013-09-16 | | Release date: | 2013-11-27 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Activation and allosteric modulation of a muscarinic acetylcholine receptor.
Nature, 504, 2013
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7XKA
 | | Structure of human beta2 adrenergic receptor bound to constrained epinephrine | | Descriptor: | (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Camelid Antibody Fragment, Endolysin,Beta-2 adrenergic receptor, ... | | Authors: | Xu, X, Shonberg, J, Kaindl, J, Clark, M, Stobel, A, Maul, L, Mayer, D, Hubner, H, Venkatakrishnan, A, Dror, R, Kobilka, B.K, Sunahara, R, Liu, X, Gmeiner, P. | | Deposit date: | 2022-04-19 | | Release date: | 2023-04-26 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Constrained catecholamines gain beta 2 AR selectivity through allosteric effects on pocket dynamics.
Nat Commun, 14, 2023
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7XK9
 | | Structure of human beta2 adrenergic receptor bound to constrained isoproterenol | | Descriptor: | (5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Camelid Antibody Fragment, Endolysin,Beta-2 adrenergic receptor, ... | | Authors: | Xu, X, Shonberg, J, Kaindl, J, Clark, M, Stobel, A, Maul, L, Mayer, D, Hubner, H, Venkatakrishnan, A, Dror, R, Kobilka, B.K, Sunahara, R, Liu, X, Gmeiner, P. | | Deposit date: | 2022-04-19 | | Release date: | 2023-04-26 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Constrained catecholamines gain beta 2 AR selectivity through allosteric effects on pocket dynamics.
Nat Commun, 14, 2023
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7BVQ
 | | Structure of human beta1 adrenergic receptor bound to carazolol | | Descriptor: | (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, CHOLESTEROL, ... | | Authors: | Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X. | | Deposit date: | 2020-04-11 | | Release date: | 2020-12-02 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR.
Cell Res., 31, 2021
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7BU6
 | | Structure of human beta1 adrenergic receptor bound to norepinephrine and nanobody 6B9 | | Descriptor: | (2S)-2,3-dihydroxypropyl octanoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHOLESTEROL, ... | | Authors: | Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X. | | Deposit date: | 2020-04-04 | | Release date: | 2020-12-02 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR.
Cell Res., 31, 2021
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7BTS
 | | Structure of human beta1 adrenergic receptor bound to epinephrine and nanobody 6B9 | | Descriptor: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHOLESTEROL, ... | | Authors: | Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X. | | Deposit date: | 2020-04-02 | | Release date: | 2020-12-02 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.13 Å) | | Cite: | Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR.
Cell Res., 31, 2021
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6OBA
 | | The beta2 adrenergic receptor bound to a negative allosteric modulator | | Descriptor: | (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, 6-bromo-N~2~-phenylquinazoline-2,4-diamine, Beta-2 adrenergic receptor,Lysozyme,Beta-2 adrenergic receptor, ... | | Authors: | Liu, X, Stobel, A, Kaindl, J, Dengler, D, ClarK, M, Mahoney, J, Korczynska, M, Matt, R.A, Hubner, H, Xu, X, Stanek, M, Hirata, K, Shoichet, B, Sunahara, R, Gmeiner, R, Kobilka, B.K. | | Deposit date: | 2019-03-20 | | Release date: | 2020-03-25 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | An allosteric modulator binds to a conformational hub in the beta2adrenergic receptor.
Nat.Chem.Biol., 16, 2020
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8X2K
 | | OEA bound GPR3-Gs complex structure | | Descriptor: | (Z)-N-(2-hydroxyethyl)octadec-9-enamide, 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: | Geng, C, Yang, D, Jun, X. | | Deposit date: | 2023-11-09 | | Release date: | 2024-04-03 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.03 Å) | | Cite: | Structural and functional characterization of the endogenous agonist for orphan receptor GPR3.
Cell Res., 34, 2024
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9BUY
 | | Structure of the LM189-Bound beta2AR-Gi Complex | | Descriptor: | 4-[(1R)-1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl]benzene-1,2-diol, Beta-2 adrenergic receptor, CHOLESTEROL, ... | | Authors: | Casiraghi, M, Wang, H, Kobilka, B.K. | | Deposit date: | 2024-05-17 | | Release date: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structure and dynamics determine G protein coupling specificity at a class A GPCR.
Sci Adv, 11, 2025
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7W7E
 | | Cryo-EM structure of the alpha2A adrenergic receptor GoA signaling complex bound to a biased agonist | | Descriptor: | 5-(3-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,3,6-tetrahydropyridine, Alpha-2A adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Xu, J, Fink, E.A, Shoichet, B.K, Du, Y. | | Deposit date: | 2021-12-04 | | Release date: | 2022-09-28 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure-based discovery of nonopioid analgesics acting through the alpha 2A -adrenergic receptor.
Science, 377, 2022
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7W6P
 | | Cryo-EM structure of the alpha2A adrenergic receptor GoA signaling complex bound to a G protein biased agonist | | Descriptor: | Alpha-2A adrenergic 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: | Xu, J, Fink, E.A, Shoichet, B.K, Du, Y. | | Deposit date: | 2021-12-02 | | Release date: | 2022-09-28 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | Structure-based discovery of nonopioid analgesics acting through the alpha 2A -adrenergic receptor.
Science, 377, 2022
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8E0G
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6K41
 | | cryo-EM structure of alpha2BAR-GoA complex | | Descriptor: | 4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole, Alpha-2A adrenergic receptor,Endolysin,Alpha-2B adrenergic receptor,Alpha-2B adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Yuan, D, Liu, Z, Wang, H.W, Kobilka, B.K. | | Deposit date: | 2019-05-23 | | Release date: | 2020-04-15 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Activation of the alpha2Badrenoceptor by the sedative sympatholytic dexmedetomidine.
Nat.Chem.Biol., 16, 2020
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