2X8B
| Crystal structure of human acetylcholinesterase inhibited by aged tabun and complexed with fasciculin-II | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETHYLCHOLINESTERASE, CHLORIDE ION, ... | Authors: | Carletti, E, Colletier, J.P, Nachon, F. | Deposit date: | 2010-03-08 | Release date: | 2010-04-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural evidence that human acetylcholinesterase inhibited by tabun ages through O-dealkylation. J. Med. Chem., 53, 2010
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7E14
| Compound2_GLP-1R_OWL833_Gs complex structure | Descriptor: | 3-[(1S,2S)-1-(5-[(4S)-2,2-dimethyloxan-4-yl]-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl)-2-methylcyclopropyl]-1,2,4-oxadiazol-5(4H)-one, CHOLESTEROL, G protein, ... | Authors: | Cong, Z.T, Chen, L.N, Ma, H.L, Yang, D.H, Xu, H.E, Zhang, Y, Wang, M.W. | Deposit date: | 2021-01-30 | Release date: | 2021-07-07 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor. Nat Commun, 12, 2021
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8IUM
| Cryo-EM structure of the tafluprost acid-bound human PTGFR-Gq complex | Descriptor: | (~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E})-3,3-bis(fluoranyl)-4-phenoxy-but-1-enyl]-3,5-bis(oxidanyl)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 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | Ligand-induced activation and G protein coupling of prostaglandin F 2 alpha receptor. Nat Commun, 14, 2023
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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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8IUL
| Cryo-EM structure of the latanoprost-bound human PTGFR-Gq complex | Descriptor: | Antibody fragment scFv16, G subunit alpha (q), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Wu, C, Xu, Y, Xu, H.E. | Deposit date: | 2023-03-24 | Release date: | 2023-07-12 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (2.78 Å) | Cite: | Ligand-induced activation and G protein coupling of prostaglandin F 2 alpha receptor. Nat Commun, 14, 2023
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8X2K
| a lipid receptor 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 | Method: | ELECTRON MICROSCOPY (3.03 Å) | Cite: | a lipid receptor complex structure To Be Published
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5EHQ
| mAChE-anti TZ2PA5 complex | Descriptor: | 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, 6-phenyl-5-[5-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine, ... | Authors: | Bourne, Y, Marchot, P. | Deposit date: | 2015-10-28 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Steric and Dynamic Parameters Influencing In Situ Cycloadditions to Form Triazole Inhibitors with Crystalline Acetylcholinesterase. J.Am.Chem.Soc., 138, 2016
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5EIE
| mAChE-TZ2 complex | Descriptor: | 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, 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: | Bourne, Y, Marchot, P. | Deposit date: | 2015-10-29 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Steric and Dynamic Parameters Influencing In Situ Cycloadditions to Form Triazole Inhibitors with Crystalline Acetylcholinesterase. J.Am.Chem.Soc., 138, 2016
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6O5V
| Binary complex of native hAChE with oxime reactivator RS-170B | Descriptor: | 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, GLYCEROL, ... | Authors: | Gerlits, O, Kovalevsky, A, Radic, Z. | Deposit date: | 2019-03-04 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.152 Å) | Cite: | Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase. J.Biol.Chem., 294, 2019
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6O66
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6O5R
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5FUM
| Mus musculus acetylcholinesterase in complex with AL200 | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 2-(biphenyl-4-yloxy)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanone, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... | Authors: | Knutsson, S, Engdahl, C, Ekstrom, F, Linusson, A. | Deposit date: | 2016-01-28 | Release date: | 2016-09-21 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of Selective Inhibitors Targeting Acetylcholinesterase 1 from Disease-Transmitting Mosquitoes. J.Med.Chem., 17, 2016
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6O5S
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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 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Discovery of a functionally selective serotonin 1A receptor agonist
for the treatment of pain To Be Published
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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 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Discovery of a functionally selective serotonin 1A receptor agonist
for the treatment of pain To Be Published
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5EHN
| mAChE-syn TZ2PA5 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-phenyl-5-[5-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine, Acetylcholinesterase, ... | Authors: | Bourne, Y, Marchot, P. | Deposit date: | 2015-10-28 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Steric and Dynamic Parameters Influencing In Situ Cycloadditions to Form Triazole Inhibitors with Crystalline Acetylcholinesterase. J.Am.Chem.Soc., 138, 2016
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8U1U
| Structure of a class A GPCR/agonist complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C-C motif chemokine 1,C-C chemokine receptor type 8,EGFP fusion protein, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Sun, D, Johnson, M, Masureel, M. | Deposit date: | 2023-09-02 | Release date: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis of antibody inhibition and chemokine activation of the human CC chemokine receptor 8. Nat Commun, 14, 2023
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5EIA
| mACHE-anti TZ2PA5 complex from a 1:6 mixture of the syn/anti isomers | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-phenyl-5-[5-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine, Acetylcholinesterase, ... | Authors: | Bourne, Y, Marchot, P. | Deposit date: | 2015-10-29 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Steric and Dynamic Parameters Influencing In Situ Cycloadditions to Form Triazole Inhibitors with Crystalline Acetylcholinesterase. J.Am.Chem.Soc., 138, 2016
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5EIH
| mAChE-TZ2/PA5 complex | Descriptor: | 5-hept-6-ynyl-6-phenyl-phenanthridin-5-ium-3,8-diamine, ACETATE ION, Acetylcholinesterase, ... | Authors: | Bourne, Y, Marchot, P. | Deposit date: | 2015-10-29 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Steric and Dynamic Parameters Influencing In Situ Cycloadditions to Form Triazole Inhibitors with Crystalline Acetylcholinesterase. J.Am.Chem.Soc., 138, 2016
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5EHZ
| mAChE-syn TZ2PA5 complex from an equimolar mixture of the syn/anti isomers | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-phenyl-5-[5-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine, Acetylcholinesterase, ... | Authors: | Bourne, Y, Marchot, P. | Deposit date: | 2015-10-29 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Steric and Dynamic Parameters Influencing In Situ Cycloadditions to Form Triazole Inhibitors with Crystalline Acetylcholinesterase. J.Am.Chem.Soc., 138, 2016
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8IY9
| Structure of Niacin-GPR109A-G protein 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(o) subunit alpha, ... | Authors: | Yadav, M.K, Sarma, P, Chami, M, Banerjee, R, Shukla, A.K. | Deposit date: | 2023-04-04 | Release date: | 2024-03-06 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | Structure-guided engineering of biased-agonism in the human niacin receptor via single amino acid substitution. Nat Commun, 15, 2024
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8JER
| Structure of Acipimox-GPR109A-G protein complex | Descriptor: | 5-methyl-4-oxidanyl-pyrazin-4-ium-2-carboxylic acid, 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: | Yadav, M.K, Sarma, P, Chami, M, Banerjee, R, Shukla, A.K. | Deposit date: | 2023-05-16 | Release date: | 2024-03-06 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Structure-guided engineering of biased-agonism in the human niacin receptor via single amino acid substitution. Nat Commun, 15, 2024
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3PVU
| Bovine GRK2 in complex with Gbetagamma subunits and a selective kinase inhibitor (CMPD101) | Descriptor: | 3-({[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}amino)-N-[2-(trifluoromethyl)benzyl]benzamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Thal, D.M, Tesmer, J.J. | Deposit date: | 2010-12-07 | Release date: | 2011-06-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Molecular Mechanism of Selectivity among G Protein-Coupled Receptor Kinase 2 Inhibitors. Mol.Pharmacol., 80, 2011
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8DWH
| CryoEM structure of Gq-coupled MRGPRX1 with ligand Compound-16 | Descriptor: | Gs-mini-Gq chimera, 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: | Liu, Y, Cao, C, Fay, J.F, Roth, B.L. | Deposit date: | 2022-08-01 | Release date: | 2022-11-02 | Last modified: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Ligand recognition and allosteric modulation of the human MRGPRX1 receptor. Nat.Chem.Biol., 19, 2023
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8DWG
| CryoEM structure of Gq-coupled MRGPRX1 with peptide ligand BAM8-22 and positive allosteric modulator ML382 | Descriptor: | 2-[(cyclopropanesulfonyl)amino]-N-(2-ethoxyphenyl)benzamide, Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Liu, Y, Cao, C, Fay, J.F, Roth, B.L. | Deposit date: | 2022-08-01 | Release date: | 2022-11-02 | Last modified: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (2.71 Å) | Cite: | Ligand recognition and allosteric modulation of the human MRGPRX1 receptor. Nat.Chem.Biol., 19, 2023
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