6TQ9
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![BU of 6tq9 by Molmil](/molmil-images/mine/6tq9) | Crystal structure of the Orexin-1 receptor in complex with SB-408124 | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 1-[6,8-bis(fluoranyl)-2-methyl-quinolin-4-yl]-3-[4-(dimethylamino)phenyl]urea, Orexin receptor type 1, ... | Authors: | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | Deposit date: | 2019-12-16 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.655 Å) | Cite: | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
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6TQ7
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![BU of 6tq7 by Molmil](/molmil-images/mine/6tq7) | Crystal structure of the Orexin-1 receptor in complex with SB-334867 | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea, Orexin receptor type 1, ... | Authors: | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | Deposit date: | 2019-12-16 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6636 Å) | Cite: | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
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8IUK
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![BU of 8iuk by Molmil](/molmil-images/mine/8iuk) | Cryo-EM structure of the PGF2-alpha-bound human PTGFR-Gq complex | Descriptor: | (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid, Antibody fragment scFv16, G subunit alpha (q), ... | Authors: | Wu, C, Xu, Y, Xu, H.E. | Deposit date: | 2023-03-24 | Release date: | 2023-07-12 | Last modified: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (2.67 Å) | Cite: | Ligand-induced activation and G protein coupling of prostaglandin F 2 alpha receptor. Nat Commun, 14, 2023
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8YKX
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![BU of 8ykx by Molmil](/molmil-images/mine/8ykx) | Cryo-EM structure of succinate receptor SUCR1 bound to maleic acid | Descriptor: | Antibody fragment ScFv16, 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: | Li, C, Liu, H, Li, J, Zhu, H, Fu, W, Xu, H.E. | Deposit date: | 2024-03-05 | Release date: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.69 Å) | Cite: | Cryo-EM structure of succinate receptor SUCR1 bound to maleic acid To Be Published
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8IJA
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![BU of 8ija by Molmil](/molmil-images/mine/8ija) | Cryo-EM structure of human HCAR2-Gi complex with niacin | Descriptor: | 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Pan, X, Fang, Y. | Deposit date: | 2023-02-26 | Release date: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (2.69 Å) | Cite: | Structural insights into ligand recognition and selectivity of the human hydroxycarboxylic acid receptor HCAR2. Cell Discov, 9, 2023
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8E9W
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![BU of 8e9w by Molmil](/molmil-images/mine/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
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![BU of 8e9z by Molmil](/molmil-images/mine/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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7F4H
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![BU of 7f4h by Molmil](/molmil-images/mine/7f4h) | Cryo-EM structure of afamelanotide-bound melanocortin-1 receptor in complex with Gs protein, Nb35 and scFv16 | Descriptor: | Afamelanotide, CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Ma, S, Chen, Y, Dai, A, Yin, W, Guo, J, Yang, D, Zhou, F, Jiang, Y, Wang, M.-W, Xu, H.E. | Deposit date: | 2021-06-18 | Release date: | 2021-09-08 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural mechanism of calcium-mediated hormone recognition and G beta interaction by the human melanocortin-1 receptor. Cell Res., 31, 2021
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8XZI
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![BU of 8xzi by Molmil](/molmil-images/mine/8xzi) | Cryo-EM structure of the CMF-019-bound human APLNR-Gi complex | Descriptor: | (3~{S})-5-methyl-3-[[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]carbonylamino]hexanoic acid, Apelin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Wang, W, Ji, S, Zhang, Y. | Deposit date: | 2024-01-21 | Release date: | 2024-03-20 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structure-based design of non-hypertrophic apelin receptor modulator. Cell, 187, 2024
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7BU6
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![BU of 7bu6 by Molmil](/molmil-images/mine/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: | 2023-11-29 | 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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2VT4
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![BU of 2vt4 by Molmil](/molmil-images/mine/2vt4) | TURKEY BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND CYANOPINDOLOL | Descriptor: | 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile, BETA1 ADRENERGIC RECEPTOR, DECANE, ... | Authors: | Warne, A, Serrano-Vega, M.J, Baker, J.G, Moukhametzianov, R, Edwards, P.C, Henderson, R, Leslie, A.G.W, Tate, C.G, Schertler, G.F.X. | Deposit date: | 2008-05-09 | Release date: | 2008-06-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of a Beta1-Adrenergic G-Protein-Coupled Receptor. Nature, 454, 2008
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8IRT
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![BU of 8irt by Molmil](/molmil-images/mine/8irt) | Dopamine Receptor D3R-Gi-Rotigotine complex | Descriptor: | 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Xu, P, Huang, S, Zhuang, Y, Mao, C, Zhang, Y, Wang, Y, Li, H, Jiang, Y, Zhang, Y, Xu, H.E. | Deposit date: | 2023-03-19 | Release date: | 2023-06-07 | Last modified: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural genomics of the human dopamine receptor system. Cell Res., 33, 2023
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5CXV
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![BU of 5cxv by Molmil](/molmil-images/mine/5cxv) | Structure of the human M1 muscarinic acetylcholine receptor bound to antagonist Tiotropium | Descriptor: | (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, 1,2-ETHANEDIOL, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Sun, B, Feng, D, Li, X, Kobilka, T.S, Kobilka, B.K. | Deposit date: | 2015-07-29 | Release date: | 2016-03-09 | Last modified: | 2016-03-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures of the M1 and M4 muscarinic acetylcholine receptors. Nature, 531, 2016
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6PS6
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![BU of 6ps6 by Molmil](/molmil-images/mine/6ps6) | XFEL beta2 AR structure by ligand exchange from Timolol to Timolol. | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol, CHOLESTEROL, ... | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | Deposit date: | 2019-07-12 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers. Iucrj, 6, 2019
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6J20
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![BU of 6j20 by Molmil](/molmil-images/mine/6j20) | Crystal structure of the human NK1 substance P receptor | Descriptor: | 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one, Substance-P receptor,Endolysin | Authors: | Chen, S, Lu, M, Zhang, H, Wu, B, Zhao, Q. | Deposit date: | 2018-12-30 | Release date: | 2019-03-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Human substance P receptor binding mode of the antagonist drug aprepitant by NMR and crystallography. Nat Commun, 10, 2019
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7T11
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![BU of 7t11 by Molmil](/molmil-images/mine/7t11) | |
7ZL9
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![BU of 7zl9 by Molmil](/molmil-images/mine/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: | 2024-02-07 | 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
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![BU of 7zly by Molmil](/molmil-images/mine/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: | 2024-02-07 | 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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7FEE
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![BU of 7fee by Molmil](/molmil-images/mine/7fee) | Crystal structure of the allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid receptor 1 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole, ... | Authors: | Wang, X, Zhao, C, Shao, Z. | Deposit date: | 2021-07-19 | Release date: | 2022-06-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1. Nat.Chem.Biol., 18, 2022
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8JT8
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![BU of 8jt8 by Molmil](/molmil-images/mine/8jt8) | Crystal structure of 5-HT2AR in complex with (R)-IHCH-7179 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(4-fluorophenyl)-4-[(7R)-2,5,11-triazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(15),9,12(16),13-tetraen-5-yl]butan-1-one, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | Authors: | Chen, Z, Fan, L, Wang, S. | Deposit date: | 2023-06-21 | Release date: | 2024-02-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Flexible scaffold-based cheminformatics approach for polypharmacological drug design. Cell, 187, 2024
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5O9H
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![BU of 5o9h by Molmil](/molmil-images/mine/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: | 2024-01-17 | 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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7SRQ
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![BU of 7srq by Molmil](/molmil-images/mine/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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5ZBQ
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![BU of 5zbq by Molmil](/molmil-images/mine/5zbq) | The Crystal Structure of human neuropeptide Y Y1 receptor with UR-MK299 | Descriptor: | Neuropeptide Y receptor type 1,T4 Lysozyme, N~2~-(diphenylacetyl)-N-[(4-hydroxyphenyl)methyl]-N~5~-(N'-{[2-(propanoylamino)ethyl]carbamoyl}carbamimidoyl)-D-ornithinamide | Authors: | Yang, Z, Han, S, Zhao, Q, Wu, B. | Deposit date: | 2018-02-12 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of ligand binding modes at the neuropeptide Y Y1receptor Nature, 556, 2018
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6RZ8
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![BU of 6rz8 by Molmil](/molmil-images/mine/6rz8) | Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2080365 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S})-8-[[4-[4-[2,3-bis(fluoranyl)phenoxy]butoxy]-2-fluoranyl-phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-but yl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid, Cysteinyl leukotriene receptor 2,Soluble cytochrome b562,Cysteinyl leukotriene receptor 2, ... | Authors: | Gusach, A, Luginina, A, Marin, E, Brouillette, R.L, Besserer-Offroy, E, Longpre, J.M, Ishchenko, A, Popov, P, Fujimoto, T, Maruyama, T, Stauch, B, Ergasheva, M, Romanovskaya, D, Stepko, A, Kovalev, K, Shevtsov, M, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Mishin, A, Cherezov, V. | Deposit date: | 2019-06-12 | Release date: | 2019-12-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of ligand selectivity and disease mutations in cysteinyl leukotriene receptors. Nat Commun, 10, 2019
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6OS2
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![BU of 6os2 by Molmil](/molmil-images/mine/6os2) | Structure of synthetic nanobody-stabilized angiotensin II type 1 receptor bound to TRV026 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Wingler, L.M, Staus, D.P, Skiba, M.A, McMahon, C, Kleinhenz, A.L.W, Lefkowitz, R.J, Kruse, A.C. | Deposit date: | 2019-05-01 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Angiotensin and biased analogs induce structurally distinct active conformations within a GPCR. Science, 367, 2020
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