2X8B
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![BU of 2x8b by Molmil](/molmil-images/mine/2x8b) | Crystal structure of human acetylcholinesterase inhibited by aged tabun and complexed with fasciculin-II | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETHYLCHOLINESTERASE, CHLORIDE ION, ... | 著者 | Carletti, E, Colletier, J.P, Nachon, F. | 登録日 | 2010-03-08 | 公開日 | 2010-04-28 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Structural evidence that human acetylcholinesterase inhibited by tabun ages through O-dealkylation. J. Med. Chem., 53, 2010
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7E14
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![BU of 7e14 by Molmil](/molmil-images/mine/7e14) | Compound2_GLP-1R_OWL833_Gs complex structure | 分子名称: | 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, ... | 著者 | Cong, Z.T, Chen, L.N, Ma, H.L, Yang, D.H, Xu, H.E, Zhang, Y, Wang, M.W. | 登録日 | 2021-01-30 | 公開日 | 2021-07-07 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor. Nat Commun, 12, 2021
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8IUM
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![BU of 8ium by Molmil](/molmil-images/mine/8ium) | Cryo-EM structure of the tafluprost acid-bound human PTGFR-Gq complex | 分子名称: | (~{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), ... | 著者 | Wu, C, Xu, Y, Xu, H.E. | 登録日 | 2023-03-24 | 公開日 | 2023-07-12 | 実験手法 | ELECTRON MICROSCOPY (3.14 Å) | 主引用文献 | Ligand-induced activation and G protein coupling of prostaglandin F 2 alpha receptor. Nat Commun, 14, 2023
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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 | 分子名称: | (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), ... | 著者 | Wu, C, Xu, Y, Xu, H.E. | 登録日 | 2023-03-24 | 公開日 | 2023-07-12 | 最終更新日 | 2023-11-08 | 実験手法 | ELECTRON MICROSCOPY (2.67 Å) | 主引用文献 | Ligand-induced activation and G protein coupling of prostaglandin F 2 alpha receptor. Nat Commun, 14, 2023
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8IUL
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![BU of 8iul by Molmil](/molmil-images/mine/8iul) | Cryo-EM structure of the latanoprost-bound human PTGFR-Gq complex | 分子名称: | Antibody fragment scFv16, G subunit alpha (q), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Wu, C, Xu, Y, Xu, H.E. | 登録日 | 2023-03-24 | 公開日 | 2023-07-12 | 最終更新日 | 2023-08-30 | 実験手法 | ELECTRON MICROSCOPY (2.78 Å) | 主引用文献 | Ligand-induced activation and G protein coupling of prostaglandin F 2 alpha receptor. Nat Commun, 14, 2023
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8X2K
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![BU of 8x2k by Molmil](/molmil-images/mine/8x2k) | a lipid receptor complex structure | 分子名称: | (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, ... | 著者 | Geng, C, Yang, D, Jun, X. | 登録日 | 2023-11-09 | 公開日 | 2024-04-03 | 実験手法 | ELECTRON MICROSCOPY (3.03 Å) | 主引用文献 | a lipid receptor complex structure To Be Published
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5EHQ
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![BU of 5ehq by Molmil](/molmil-images/mine/5ehq) | mAChE-anti TZ2PA5 complex | 分子名称: | 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, ... | 著者 | Bourne, Y, Marchot, P. | 登録日 | 2015-10-28 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | 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
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![BU of 5eie by Molmil](/molmil-images/mine/5eie) | mAChE-TZ2 complex | 分子名称: | 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, ... | 著者 | Bourne, Y, Marchot, P. | 登録日 | 2015-10-29 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | 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
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![BU of 6o5v by Molmil](/molmil-images/mine/6o5v) | Binary complex of native hAChE with oxime reactivator RS-170B | 分子名称: | 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, GLYCEROL, ... | 著者 | Gerlits, O, Kovalevsky, A, Radic, Z. | 登録日 | 2019-03-04 | 公開日 | 2019-05-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.152 Å) | 主引用文献 | 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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![BU of 6o66 by Molmil](/molmil-images/mine/6o66) | |
6O5R
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![BU of 6o5r by Molmil](/molmil-images/mine/6o5r) | |
5FUM
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![BU of 5fum by Molmil](/molmil-images/mine/5fum) | Mus musculus acetylcholinesterase in complex with AL200 | 分子名称: | 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, ... | 著者 | Knutsson, S, Engdahl, C, Ekstrom, F, Linusson, A. | 登録日 | 2016-01-28 | 公開日 | 2016-09-21 | 最終更新日 | 2018-01-17 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | 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
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![BU of 8pkm by Molmil](/molmil-images/mine/8pkm) | Befiradol-bound serotonin 5-HT1A receptor - Gi Protein Complex | 分子名称: | (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, ... | 著者 | Schneider, J, Gmeiner, P, Hove, T.T, Rasmussen, T, Boettcher, B. | 登録日 | 2023-06-27 | 公開日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Discovery of a functionally selective serotonin 1A receptor agonist
for the treatment of pain To Be Published
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8PJK
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![BU of 8pjk by Molmil](/molmil-images/mine/8pjk) | ST171-bound serotonin 5-HT1A receptor - Gi Protein Complex | 分子名称: | (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, ... | 著者 | Schneider, J, Gmeiner, P, Rasmussen, T, Boettcher, B. | 登録日 | 2023-06-23 | 公開日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (2.4 Å) | 主引用文献 | Discovery of a functionally selective serotonin 1A receptor agonist
for the treatment of pain To Be Published
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5EHN
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![BU of 5ehn by Molmil](/molmil-images/mine/5ehn) | mAChE-syn TZ2PA5 complex | 分子名称: | 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, ... | 著者 | Bourne, Y, Marchot, P. | 登録日 | 2015-10-28 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | 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
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![BU of 8u1u by Molmil](/molmil-images/mine/8u1u) | Structure of a class A GPCR/agonist complex | 分子名称: | 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, ... | 著者 | Sun, D, Johnson, M, Masureel, M. | 登録日 | 2023-09-02 | 公開日 | 2023-12-20 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structural basis of antibody inhibition and chemokine activation of the human CC chemokine receptor 8. Nat Commun, 14, 2023
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5EIA
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![BU of 5eia by Molmil](/molmil-images/mine/5eia) | mACHE-anti TZ2PA5 complex from a 1:6 mixture of the syn/anti isomers | 分子名称: | 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, ... | 著者 | Bourne, Y, Marchot, P. | 登録日 | 2015-10-29 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | 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
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![BU of 5eih by Molmil](/molmil-images/mine/5eih) | mAChE-TZ2/PA5 complex | 分子名称: | 5-hept-6-ynyl-6-phenyl-phenanthridin-5-ium-3,8-diamine, ACETATE ION, Acetylcholinesterase, ... | 著者 | Bourne, Y, Marchot, P. | 登録日 | 2015-10-29 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | 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
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![BU of 5ehz by Molmil](/molmil-images/mine/5ehz) | mAChE-syn TZ2PA5 complex from an equimolar mixture of the syn/anti isomers | 分子名称: | 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, ... | 著者 | Bourne, Y, Marchot, P. | 登録日 | 2015-10-29 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | 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
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![BU of 8iy9 by Molmil](/molmil-images/mine/8iy9) | Structure of Niacin-GPR109A-G protein complex | 分子名称: | 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, ... | 著者 | Yadav, M.K, Sarma, P, Chami, M, Banerjee, R, Shukla, A.K. | 登録日 | 2023-04-04 | 公開日 | 2024-03-06 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.37 Å) | 主引用文献 | 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
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![BU of 8jer by Molmil](/molmil-images/mine/8jer) | Structure of Acipimox-GPR109A-G protein complex | 分子名称: | 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, ... | 著者 | Yadav, M.K, Sarma, P, Chami, M, Banerjee, R, Shukla, A.K. | 登録日 | 2023-05-16 | 公開日 | 2024-03-06 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.45 Å) | 主引用文献 | 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
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![BU of 3pvu by Molmil](/molmil-images/mine/3pvu) | Bovine GRK2 in complex with Gbetagamma subunits and a selective kinase inhibitor (CMPD101) | 分子名称: | 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, ... | 著者 | Thal, D.M, Tesmer, J.J. | 登録日 | 2010-12-07 | 公開日 | 2011-06-01 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Molecular Mechanism of Selectivity among G Protein-Coupled Receptor Kinase 2 Inhibitors. Mol.Pharmacol., 80, 2011
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8DWH
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![BU of 8dwh by Molmil](/molmil-images/mine/8dwh) | CryoEM structure of Gq-coupled MRGPRX1 with ligand Compound-16 | 分子名称: | 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, ... | 著者 | Liu, Y, Cao, C, Fay, J.F, Roth, B.L. | 登録日 | 2022-08-01 | 公開日 | 2022-11-02 | 最終更新日 | 2023-04-12 | 実験手法 | ELECTRON MICROSCOPY (3.25 Å) | 主引用文献 | Ligand recognition and allosteric modulation of the human MRGPRX1 receptor. Nat.Chem.Biol., 19, 2023
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8DWG
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![BU of 8dwg by Molmil](/molmil-images/mine/8dwg) | CryoEM structure of Gq-coupled MRGPRX1 with peptide ligand BAM8-22 and positive allosteric modulator ML382 | 分子名称: | 2-[(cyclopropanesulfonyl)amino]-N-(2-ethoxyphenyl)benzamide, Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Liu, Y, Cao, C, Fay, J.F, Roth, B.L. | 登録日 | 2022-08-01 | 公開日 | 2022-11-02 | 最終更新日 | 2023-04-12 | 実験手法 | ELECTRON MICROSCOPY (2.71 Å) | 主引用文献 | Ligand recognition and allosteric modulation of the human MRGPRX1 receptor. Nat.Chem.Biol., 19, 2023
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