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7PP1
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BU of 7pp1 by Molmil
Crystal structure of the P2Y12 receptor in complex with the inverse agonist selatogrel.
Descriptor: CHOLESTEROL, P2Y purinoceptor 12,Soluble cytochrome b562,P2Y purinoceptor 12, Selatogrel
Authors:Mac Sweeney, A, Tidten-Luksch, N.
Deposit date:2021-09-13
Release date:2022-11-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Inverse agonist efficacy of selatogrel blunts constitutive P2Y12 receptor signaling by inducing the inactive receptor conformation.
Biochem Pharmacol, 206, 2022
7RAN
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BU of 7ran by Molmil
5-HT2AR bound to a novel agonist in complex with a mini-Gq protein and an active-state stabilizing single-chain variable fragment (scFv16) obtained by cryo-electron microscopy (cryoEM)
Descriptor: (3R)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,3,6-tetrahydropyridin-1-ium, 5-hydroxytryptamine receptor 2A, G protein subunit q (Gi2-mini-Gq chimera), ...
Authors:Barros-Alvarez, X, Kim, K, Panova, O, Roth, B.L, Skiniotis, G.
Deposit date:2021-07-02
Release date:2022-07-06
Last modified:2025-05-21
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Bespoke library docking for 5-HT 2A receptor agonists with antidepressant activity.
Nature, 610, 2022
5IUA
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Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12b at 2.2A resolution
Descriptor: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(furan-2-yl)-N~5~-[3-(4-phenylpiperazin-1-yl)propyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ...
Authors:Segala, E, Guo, D, Cheng, R.K.Y, Bortolato, A, Deflorian, F, Dore, A.S, Errey, J.C, Heitman, L.H, Ijzerman, A.P, Marshall, F.H, Cooke, R.M.
Deposit date:2016-03-17
Release date:2016-06-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength.
J.Med.Chem., 59, 2016
5IU8
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Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12f at 2.0A resolution
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(furan-2-yl)-N~5~-[2-(4-methylpiperazin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine, ...
Authors:Segala, E, Guo, D, Cheng, R.K.Y, Bortolato, A, Deflorian, F, Dore, A.S, Errey, J.C, Heitman, L.H, Ijzerman, A.P, Marshall, F.H, Cooke, R.M.
Deposit date:2016-03-17
Release date:2016-06-29
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength.
J.Med.Chem., 59, 2016
4NC3
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BU of 4nc3 by Molmil
Crystal structure of the 5-HT2B receptor solved using serial femtosecond crystallography in lipidic cubic phase.
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHOLESTEROL, ...
Authors:Liu, W, Wacker, D, Gati, C, Han, G.W, James, D, Wang, D, Nelson, G, Weierstall, U, Katritch, V, Barty, A, Zatsepin, N.A, Li, D, Messerschmidt, M, Boutet, S, Williams, G.J, Koglin, J.E, Seibert, M.M, Wang, C, Shah, S.T.A, Basu, S, Fromme, R, Kupitz, C, Rendek, K.N, Grotjohann, I, Fromme, P, Kirian, R.A, Beyerlein, K.R, White, T.A, Chapman, H.N, Caffrey, M, Spence, J.C.H, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
Deposit date:2013-10-23
Release date:2013-12-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Serial femtosecond crystallography of G protein-coupled receptors.
Science, 342, 2013
7QVM
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BU of 7qvm by Molmil
Human Oxytocin receptor (OTR) oxytocin Gq chimera (mGoqi) complex
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:Waltenspuhl, Y, Ehrenmann, J, Vacca, S, Thom, C, Medalia, O, Pluckthun, A.
Deposit date:2022-01-21
Release date:2022-08-10
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Structural basis for the activation and ligand recognition of the human oxytocin receptor.
Nat Commun, 13, 2022
4N6H
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BU of 4n6h by Molmil
1.8 A Structure of the human delta opioid 7TM receptor (PSI Community Target)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol, L(+)-TARTARIC ACID, ...
Authors:Fenalti, G, Giguere, P.M, Katritch, V, Huang, X.-P, Thompson, A.A, Han, G.W, Cherezov, V, Roth, B.L, Stevens, R.C, GPCR Network (GPCR)
Deposit date:2013-10-12
Release date:2013-12-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular control of delta-opioid receptor signalling.
Nature, 506, 2014
5IU4
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BU of 5iu4 by Molmil
Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with ZM241385 at 1.7A resolution
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:Segala, E, Guo, D, Cheng, R.K.Y, Bortolato, A, Deflorian, F, Dore, A.S, Errey, J.C, Heitman, L.H, Ijzerman, A.P, Marshall, F.H, Cooke, R.M.
Deposit date:2016-03-17
Release date:2016-06-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength.
J.Med.Chem., 59, 2016
5IUB
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BU of 5iub by Molmil
Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12x at 2.1A resolution
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ...
Authors:Segala, E, Guo, D, Cheng, R.K.Y, Bortolato, A, Deflorian, F, Dore, A.S, Errey, J.C, Heitman, L.H, Ijzerman, A.P, Marshall, F.H, Cooke, R.M.
Deposit date:2016-03-17
Release date:2016-06-29
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength.
J.Med.Chem., 59, 2016
5IU7
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BU of 5iu7 by Molmil
Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12c at 1.9A resolution
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(furan-2-yl)-N~5~-[2-(4-phenylpiperidin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine, ...
Authors:Segala, E, Guo, D, Cheng, R.K.Y, Bortolato, A, Deflorian, F, Dore, A.S, Errey, J.C, Heitman, L.H, Ijzerman, A.P, Marshall, F.H, Cooke, R.M.
Deposit date:2016-03-17
Release date:2016-06-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength.
J.Med.Chem., 59, 2016
7F6I
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BU of 7f6i by Molmil
Cryo-EM structure of human bradykinin receptor BK2R in complex Gq proteins and kallidin
Descriptor: Bradykinin receptor BK2R, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Shen, J, Zhang, D, Fu, Y, Chen, A, Zhang, H.
Deposit date:2021-06-25
Release date:2022-01-05
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Cryo-EM structures of human bradykinin receptor-G q proteins complexes.
Nat Commun, 13, 2022
7EZC
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BU of 7ezc by Molmil
Adenosine A2a receptor mutant-I92N
Descriptor: 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide, Adenosine receptor A2a,Soluble cytochrome b562
Authors:Cui, M, Zhou, Q, Yao, D, Zhao, S, Song, G.
Deposit date:2021-06-01
Release date:2022-04-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Crystal structure of a constitutive active mutant of adenosine A 2A receptor.
Iucrj, 9, 2022
7EUO
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BU of 7euo by Molmil
The structure of formyl peptide receptor 1 in complex with Gi and peptide agonist fMLF
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, X.K, Chen, G, Liao, Q.W, Du, Y, Hu, H.L, Ye, D.Q.
Deposit date:2021-05-18
Release date:2022-05-25
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis for recognition of N-formyl peptides as pathogen-associated molecular patterns.
Nat Commun, 13, 2022
7F0T
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BU of 7f0t by Molmil
Cryo-EM structure of dopamine receptor 1 and mini-Gs complex with dopamine bound
Descriptor: D(1A) dopamine 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:Xiao, T, Zheng, S.
Deposit date:2021-06-07
Release date:2022-06-15
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into G protein activation by D1 dopamine receptor.
Sci Adv, 8, 2022
7FEE
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BU of 7fee by Molmil
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:2024-10-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1.
Nat.Chem.Biol., 18, 2022
7F61
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BU of 7f61 by Molmil
Crystal structure of human histamine receptor H3R in complex with antagonist PF03654746
Descriptor: CHOLESTEROL, Histamine H3 receptor, N-ethyl-3-fluoranyl-3-[3-fluoranyl-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide, ...
Authors:Peng, X, Zhang, H.
Deposit date:2021-06-23
Release date:2022-10-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for recognition of antihistamine drug by human histamine receptor.
Nat Commun, 13, 2022
8P12
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BU of 8p12 by Molmil
Cryo-EM structure of Rhodopsin-Gi bound to antibody fragment Fab13
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(T) subunit gamma-T1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Pamula, F, Tejero, O, Muehle, J, Thoma, R, Schertler, G.F.X, Marino, J, Tsai, C.-J.
Deposit date:2023-05-11
Release date:2024-11-20
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Characterization of two novel antibody fragments for obtaining cryo-EM structures of GPCR-G protein complexes
To Be Published
8P13
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BU of 8p13 by Molmil
Cryo-EM structure of Rhodopsin-Gi bound with antibody fragments scFv16 and Fab79, conformation 1
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(T) subunit gamma-T1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Pamula, F, Tejero, O, Muehle, J, Thoma, R, Schertler, G.F.X, Marino, J, Tsai, C.-J.
Deposit date:2023-05-11
Release date:2024-11-20
Method:ELECTRON MICROSCOPY (5.2 Å)
Cite:Characterization of two novel antibody fragments for obtaining cryo-EM structures of GPCR-G protein complexes
To Be Published
8P15
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BU of 8p15 by Molmil
Cryo-EM structure of Rhodopsin-Gi bound with antibody fragments scFv16 and Fab79, conformation 2
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(T) subunit gamma-T1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Pamula, F, Tejero, O, Muehle, J, Thoma, R, Schertler, G.F.X, Marino, J, Tsai, C.-J.
Deposit date:2023-05-11
Release date:2024-11-20
Method:ELECTRON MICROSCOPY (5.9 Å)
Cite:Characterization of two novel antibody fragments for obtaining cryo-EM structures of GPCR-G protein complexes
To Be Published
8PM2
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BU of 8pm2 by Molmil
Structure of the murine trace amine-associated receptor TAAR7f bound to N,N-dimethylcyclohexylamine (DMCH) in complex with mini-Gs trimeric G protein
Descriptor: CHOLESTEROL HEMISUCCINATE, 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:Gusach, A, Lee, Y, Edwards, P.C, Huang, F, Weyand, S.N, Tate, C.G.
Deposit date:2023-06-28
Release date:2023-08-09
Last modified:2025-07-09
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Molecular recognition of an aversive odorant by the murine trace amine-associated receptor TAAR7f.
Biorxiv, 2023
8QJ2
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BU of 8qj2 by Molmil
Structure of active state MC4R in complex with a potent ligand mimicking nanobody
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(s) subunit alpha isoforms short, ...
Authors:Busch, A, Jaakola, V.-P, Masiulis, S.
Deposit date:2023-09-12
Release date:2024-09-25
Last modified:2025-04-23
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure elucidation of a human melanocortin-4 receptor specific orthosteric nanobody agonist.
Nat Commun, 15, 2024
8PWN
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BU of 8pwn by Molmil
Structure of A2A adenosine receptor A2AR-StaR2-bRIL, solved at wavelength 2.75 A
Descriptor: Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, OLEIC ACID, ...
Authors:El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Romano, M, Moraes, I, Wagner, A.
Deposit date:2023-07-20
Release date:2023-10-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
6U1N
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BU of 6u1n by Molmil
GPCR-Beta arrestin structure in lipid bilayer
Descriptor: 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, Beta-arrestin-1, Fab30 heavy chain, ...
Authors:Staus, D.P, Hu, H, Robertson, M.J, Kleinhenz, A.L.W, Wingler, L.M, Capel, W.D, Latorraca, N.R, Lefkowitz, R.J, Skiniotis, G.
Deposit date:2019-08-16
Release date:2020-02-26
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure of the M2 muscarinic receptor-beta-arrestin complex in a lipid nanodisc.
Nature, 579, 2020
6UP7
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BU of 6up7 by Molmil
neurotensin receptor and arrestin2 complex
Descriptor: ARG-ARG-PRO-TYR-ILE-LEU, Beta-arrestin-1, Neurotensin receptor type 1, ...
Authors:Qu, Q.H, Huang, W, Masureel, M, Janetzko, J, Kobilka, B.K, Skiniotis, G.
Deposit date:2019-10-16
Release date:2020-02-26
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structure of the neurotensin receptor 1 in complex with beta-arrestin 1.
Nature, 579, 2020
3V2Y
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BU of 3v2y by Molmil
Crystal Structure of a Lipid G protein-Coupled Receptor at 2.80A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Sphingosine 1-phosphate receptor 1, Lysozyme chimera (E.C.3.2.1.17), ...
Authors:Hanson, M.A, Roth, C.B, Jo, E, Griffith, M.T, Scott, F.L, Reinhart, G, Desale, H, Clemons, B, Cahalan, S.M, Schuerer, S.C, Sanna, M.G, Han, G.W, Kuhn, P, Rosen, H, Stevens, R.C, GPCR Network (GPCR)
Deposit date:2011-12-12
Release date:2012-02-15
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of a lipid G protein-coupled receptor.
Science, 335, 2012

238582

数据于2025-07-09公开中

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