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2RH1
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BU of 2rh1 by Molmil
High resolution crystal structure of human B2-adrenergic G protein-coupled receptor.
Descriptor: (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, 1,4-BUTANEDIOL, ACETAMIDE, ...
Authors:Cherezov, V, Rosenbaum, D.M, Hanson, M.A, Rasmussen, S.G.F, Thian, F.S, Kobilka, T.S, Choi, H.J, Kuhn, P, Weis, W.I, Kobilka, B.K, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR)
Deposit date:2007-10-05
Release date:2007-10-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:High-resolution crystal structure of an engineered human beta2-adrenergic G protein-coupled receptor.
Science, 318, 2007
2VDF
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BU of 2vdf by Molmil
Structure of the OpcA adhesion from Neisseria meningitidis determined by crystallization from the cubic mesophase
Descriptor: N-OCTANE, OUTER MEMBRANE PROTEIN, SULFATE ION
Authors:Cherezov, V, Liu, W, Derrick, J.P, Luan, B, Aksimentiev, A, Katritch, V, Caffrey, M.
Deposit date:2007-10-05
Release date:2007-10-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:In meso crystal structure and docking simulations suggest an alternative proteoglycan binding site in the OpcA outer membrane adhesin.
Proteins, 71, 2008
3BYR
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BU of 3byr by Molmil
Mode of Action of a Putative Zinc Transporter CzrB (Zn form)
Descriptor: CzrB protein, ZINC ION
Authors:Cherezov, V, Srinivasan, V, Szebenyi, D.M.E, Caffrey, M.
Deposit date:2008-01-16
Release date:2008-09-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Insights into the Mode of Action of a Putative Zinc Transporter CzrB in Thermus thermophilus
Structure, 16, 2008
3BYP
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BU of 3byp by Molmil
Mode of Action of a Putative Zinc Transporter CzrB
Descriptor: CzrB protein, SULFATE ION
Authors:Cherezov, V, Srinivasan, V, Szebenyi, D.M.E, Caffrey, M.
Deposit date:2008-01-16
Release date:2008-09-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Insights into the Mode of Action of a Putative Zinc Transporter CzrB in Thermus thermophilus
Structure, 16, 2008
7JNI
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BU of 7jni by Molmil
Crystal structure of the angiotensin II type 2 receptoror (AT2R) in complex with EMA401
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, FORMIC ACID, HEXANE-1,6-DIOL, ...
Authors:Cherezov, V, Shaye, H, Han, G.W.
Deposit date:2020-08-04
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Inhibition of the angiotensin II type 2 receptor AT 2 R is a novel therapeutic strategy for glioblastoma.
Proc.Natl.Acad.Sci.USA, 119, 2022
2FKW
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BU of 2fkw by Molmil
Structure of LH2 from Rps. acidophila crystallized in lipidic mesophases
Descriptor: BACTERIOCHLOROPHYLL A, LAURYL DIMETHYLAMINE-N-OXIDE, Light-harvesting protein B-800/850, ...
Authors:Papiz, M.Z, Cherezov, V, Clogston, J, Caffrey, M.
Deposit date:2006-01-05
Release date:2006-03-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Room to Move: Crystallizing Membrane Proteins in Swollen Lipidic Mesophases
J.Mol.Biol., 357, 2006
2GUF
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BU of 2guf by Molmil
In meso crystal structure of the cobalamin transporter, BtuB
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, FORMIC ACID, Vitamin B12 transporter btuB, ...
Authors:Caffrey, M, Cherezov, V, Yamashita, E, Cramer, W.A.
Deposit date:2006-04-29
Release date:2006-12-05
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:In Meso Structure of the Cobalamin Transporter, BtuB, at 1.95 A Resolution.
J.Mol.Biol., 364, 2006
7YXA
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BU of 7yxa by Molmil
XFEL crystal structure of the human sphingosine 1 phosphate receptor 5 in complex with ONO-5430608
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[6-(2-naphthalen-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-3-yl]butanoic acid, ...
Authors:Lyapina, E, Marin, E, Gusach, A, Orekhov, P, Gerasimov, A, Luginina, A, Vakhrameev, D, Ergasheva, M, Kovaleva, M, Khusainov, G, Khorn, P, Shevtsov, M, Kovalev, K, Okhrimenko, I, Bukhdruker, S, Popov, P, Hu, H, Weierstall, U, Liu, W, Cho, Y, Gushchin, I, Rogachev, A, Bourenkov, G, Park, S, Park, G, Huyn, H.J, Park, J, Gordeliy, V, Borshchevskiy, V, Mishin, A, Cherezov, V.
Deposit date:2022-02-15
Release date:2022-08-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for receptor selectivity and inverse agonism in S1P 5 receptors.
Nat Commun, 13, 2022
5JTB
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BU of 5jtb by Molmil
Crystal structure of the chimeric protein of A2aAR-BRIL with bound iodide ions
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
Authors:Melnikov, I, Polovinkin, V, Shevtsov, M, Borshchevskiy, V, Cherezov, V, Popov, A, Gordeliy, V.
Deposit date:2016-05-09
Release date:2017-05-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Fast iodide-SAD phasing for high-throughput membrane protein structure determination.
Sci Adv, 3, 2017
7K15
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BU of 7k15 by Molmil
Crystal structure of the Human Leukotriene B4 Receptor 1 in Complex with Selective Antagonist MK-D-046
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, FLAVIN MONONUCLEOTIDE, HEXAETHYLENE GLYCOL, ...
Authors:Michaelian, N, Han, G.W, Cherezov, V.
Deposit date:2020-09-07
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Structural insights on ligand recognition at the human leukotriene B4 receptor 1.
Nat Commun, 12, 2021
6VJM
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BU of 6vjm by Molmil
Human metabotropic GABA(B) receptor in its apo state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Shaye, H, Han, G.W, Gati, C, Cherezov, V.
Deposit date:2020-01-16
Release date:2020-06-10
Last modified:2020-08-26
Method:ELECTRON MICROSCOPY (3.97 Å)
Cite:Structural basis of the activation of a metabotropic GABA receptor.
Nature, 584, 2020
7SK2
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BU of 7sk2 by Molmil
Human wildtype GABA reuptake transporter 1 in complex with tiagabine, inward-open conformation
Descriptor: Sodium- and chloride-dependent GABA transporter 1, Tiagabine
Authors:Gati, C, Motiwala, Z, Aduri, N.G, Shaye, H, Han, G.W, Cherezov, V.
Deposit date:2021-10-19
Release date:2022-06-08
Last modified:2022-07-06
Method:ELECTRON MICROSCOPY (3.82 Å)
Cite:Structural basis of GABA reuptake inhibition.
Nature, 606, 2022
3RZE
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BU of 3rze by Molmil
Structure of the human histamine H1 receptor in complex with doxepin
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (3E)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine, (3Z)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine, ...
Authors:Shimamura, T, Han, G.W, Shiroishi, M, Weyand, S, Tsujimoto, H, Winter, G, Katritch, V, Abagyan, R, Cherezov, V, Liu, W, Kobayashi, T, Stevens, R, Iwata, S, GPCR Network (GPCR)
Deposit date:2011-05-11
Release date:2011-06-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of the human histamine H1 receptor complex with doxepin.
Nature, 475, 2011
3S8G
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BU of 3s8g by Molmil
1.8 A structure of ba3 cytochrome c oxidase mutant (A120F) from Thermus thermophilus in lipid environment
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, ...
Authors:Tiefenbrunn, T, Liu, W, Chen, Y, Katritch, V, Stout, C.D, Fee, J.A, Cherezov, V.
Deposit date:2011-05-27
Release date:2011-08-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High resolution structure of the ba3 cytochrome c oxidase from Thermus thermophilus in a lipidic environment.
Plos One, 6, 2011
3S8F
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BU of 3s8f by Molmil
1.8 A structure of ba3 cytochrome c oxidase from Thermus thermophilus in lipid environment
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, ...
Authors:Tiefenbrunn, T, Liu, W, Chen, Y, Katritch, V, Stout, C.D, Fee, J.A, Cherezov, V.
Deposit date:2011-05-27
Release date:2011-08-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High resolution structure of the ba3 cytochrome c oxidase from Thermus thermophilus in a lipidic environment.
Plos One, 6, 2011
8CU6
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BU of 8cu6 by Molmil
Crystal structure of A2AAR-StaR2-S277-bRIL in complex with a novel A2a antagonist, LJ-4517
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol, Adenosine receptor A2a,Soluble cytochrome b562, ...
Authors:Shiriaeva, A, Park, D.-J, Kim, G, Lee, Y, Hou, X, Jarhad, D.B, Kim, G, Yu, J, Hyun, Y.E, Kim, W, Gao, Z.-G, Jacobson, K.A, Han, G.W, Stevens, R.C, Jeong, L.S, Choi, S, Cherezov, V.
Deposit date:2022-05-16
Release date:2022-08-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:GPCR Agonist-to-Antagonist Conversion: Enabling the Design of Nucleoside Functional Switches for the A 2A Adenosine Receptor.
J.Med.Chem., 65, 2022
8CU7
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BU of 8cu7 by Molmil
Crystal structure of A2AAR-StaR2-bRIL in complex with a novel A2a antagonist, LJ-4517
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol, Adenosine receptor A2a,Soluble cytochrome b562, ...
Authors:Shiriaeva, A, Park, D.-J, Kim, G, Lee, Y, Hou, X, Jarhad, D.B, Kim, G, Yu, J, Hyun, Y.E, Kim, W, Gao, Z.-G, Jacobson, K.A, Han, G.W, Stevens, R.C, Jeong, L.S, Choi, S, Cherezov, V.
Deposit date:2022-05-16
Release date:2022-08-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:GPCR Agonist-to-Antagonist Conversion: Enabling the Design of Nucleoside Functional Switches for the A 2A Adenosine Receptor.
J.Med.Chem., 65, 2022
8DU3
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BU of 8du3 by Molmil
Crystal structure of A2AAR-StaR2-bRIL in complex with compound 21a
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (4M)-6-bromo-4-(furan-2-yl)quinazolin-2-amine, Adenosine receptor A2a, ...
Authors:Shiriaeva, A, Stauch, B, Han, G.W, Cherezov, V.
Deposit date:2022-07-26
Release date:2022-08-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:High ligand efficiency quinazoline compounds as novel A 2A adenosine receptor antagonists.
Eur.J.Med.Chem., 241, 2022
4QIM
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BU of 4qim by Molmil
Structure of the human smoothened receptor in complex with ANTA XV
Descriptor: 2-{6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}propan-2-ol, Smoothened homolog/Soluble cytochrome b562 chimeric protein, ZINC ION
Authors:Wang, C, Wu, H, Evron, T, Vardy, E, Han, G.W, Huang, X.-P, Hufeisen, S.J, Mangano, T.J, Urban, D.J, Katritch, V, Cherezov, V, Caron, M.G, Roth, B.L, Stevens, R.C, GPCR Network (GPCR)
Deposit date:2014-05-31
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs.
Nat Commun, 5, 2014
4QIN
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BU of 4qin by Molmil
Structure of the human smoothened receptor in complex with SAG1.5
Descriptor: 3-chloro-4,7-difluoro-N-[trans-4-(methylamino)cyclohexyl]-N-[3-(pyridin-4-yl)benzyl]-1-benzothiophene-2-carboxamide, Smoothened homolog/Soluble cytochrome b562 chimeric protein
Authors:Wang, C, Wu, H, Evron, T, Vardy, E, Han, G.W, Huang, X.-P, Hufeisen, S.J, Mangano, T.J, Urban, D.J, Katritch, V, Cherezov, V, Caron, M.G, Roth, B.L, Stevens, R.C, GPCR Network (GPCR)
Deposit date:2014-05-31
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs.
Nat Commun, 5, 2014
5XF1
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BU of 5xf1 by Molmil
Structure of the Full-length glucagon class B G protein-coupled receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, H, Qiao, A, Yang, D, Yang, L, Dai, A, de Graaf, C, Reedtz-Runge, S, Dharmarajan, V, Zhang, H, Han, G.W, Grant, T, Sierra, R, Weierstall, U, Nelson, G, Liu, W, Wu, Y, Ma, L, Cai, X, Lin, G, Wu, X, Geng, Z, Dong, Y, Song, G, Griffin, P, Lau, J, Cherezov, V, Yang, H, Hanson, M, Stevens, R, Jiang, H, Wang, M, Zhao, Q, Wu, B.
Deposit date:2017-04-06
Release date:2017-05-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structure of the full-length glucagon class B G-protein-coupled receptor.
Nature, 546, 2017
5XEZ
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BU of 5xez by Molmil
Structure of the Full-length glucagon class B G protein-coupled receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-N-(1H-tetrazol-5-yl)benzamide, ...
Authors:Zhang, H, Qiao, A, Yang, D, Yang, L, Dai, A, de Graaf, C, Reedtz-Runge, S, Dharmarajan, V, Zhang, H, Han, G.W, Grant, T, Sierra, R, Weierstall, U, Nelson, G, Liu, W, Wu, Y, Ma, L, Cai, X, Lin, G, Wu, X, Geng, Z, Dong, Y, Song, G, Griffin, P, Lau, J, Cherezov, V, Yang, H, Hanson, M, Stevens, R, Jiang, H, Wang, M, Zhao, Q, Wu, B.
Deposit date:2017-04-06
Release date:2017-05-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the full-length glucagon class B G-protein-coupled receptor.
Nature, 546, 2017
4RWA
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BU of 4rwa by Molmil
Synchrotron structure of the human delta opioid receptor in complex with a bifunctional peptide (PSI community target)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Soluble cytochrome b562,Delta-type opioid receptor, bifunctional peptide
Authors:Fenalti, G, Zatsepin, N.A, Betti, C, Giguere, P, Han, G.W, Ishchenko, A, Liu, W, Guillemyn, K, Zhang, H, James, D, Wang, D, Weierstall, U, Spence, J.C.H, Boutet, S, Messerschmidt, M, Williams, G.J, Gati, C, Yefanov, O.M, White, T.A, Oberthuer, D, Metz, M, Yoon, C.H, Barty, A, Chapman, H.N, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Fromme, P, Tourwe, D, Schiller, P.W, Roth, B.L, Ballet, S, Katritch, V, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
Deposit date:2014-12-01
Release date:2015-01-14
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.28 Å)
Cite:Structural basis for bifunctional peptide recognition at human delta-opioid receptor.
Nat.Struct.Mol.Biol., 22, 2015
4RWD
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BU of 4rwd by Molmil
XFEL structure of the human delta opioid receptor in complex with a bifunctional peptide
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, OLEIC ACID, SODIUM ION, ...
Authors:Fenalti, G, Zatsepin, N.A, Betti, C, Giguere, P, Han, G.W, Ishchenko, A, Liu, W, Guillemyn, K, Zhang, H, James, D, Wang, D, Weierstall, U, Spence, J.C.H, Boutet, S, Messerschmidt, M, Williams, G.J, Gati, C, Yefanov, O.M, White, T.A, Oberthuer, D, Metz, M, Yoon, C.H, Barty, A, Chapman, H.N, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Fromme, P, Tourwe, D, Schiller, P.W, Roth, B.L, Ballet, S, Katritch, V, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
Deposit date:2014-12-02
Release date:2015-01-14
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for bifunctional peptide recognition at human delta-opioid receptor.
Nat.Struct.Mol.Biol., 22, 2015
6UO8
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BU of 6uo8 by Molmil
Human metabotropic GABA(B) receptor bound to agonist SKF97541 and positive allosteric modulator GS39783
Descriptor: (R)-(3-aminopropyl)methylphosphinic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Shaye, H, Han, G.W, Gati, C, Cherezov, V.
Deposit date:2019-10-14
Release date:2020-06-10
Last modified:2020-08-26
Method:ELECTRON MICROSCOPY (3.63 Å)
Cite:Structural basis of the activation of a metabotropic GABA receptor.
Nature, 584, 2020

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