6WZA
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![BU of 6wza by Molmil](/molmil-images/mine/6wza) | Ni-bound structure of an engineered metal-dependent protein trimer, TriCyt1 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, HEME C, ... | 著者 | Tezcan, F.A, Kakkis, A. | 登録日 | 2020-05-13 | 公開日 | 2020-09-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Metal-Templated Design of Chemically Switchable Protein Assemblies with High-Affinity Coordination Sites. Angew.Chem.Int.Ed.Engl., 59, 2020
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8DU3
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![BU of 8du3 by Molmil](/molmil-images/mine/8du3) | Crystal structure of A2AAR-StaR2-bRIL in complex with compound 21a | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (4M)-6-bromo-4-(furan-2-yl)quinazolin-2-amine, Adenosine receptor A2a, ... | 著者 | Shiriaeva, A, Stauch, B, Han, G.W, Cherezov, V. | 登録日 | 2022-07-26 | 公開日 | 2022-08-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | High ligand efficiency quinazoline compounds as novel A 2A adenosine receptor antagonists. Eur.J.Med.Chem., 241, 2022
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5K2B
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![BU of 5k2b by Molmil](/molmil-images/mine/5k2b) | 2.5 angstrom A2a adenosine receptor structure with MR phasing using XFEL data | 分子名称: | (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, ... | 著者 | Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | 登録日 | 2016-05-18 | 公開日 | 2016-09-21 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Native phasing of x-ray free-electron laser data for a G protein-coupled receptor. Sci Adv, 2, 2016
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3M4B
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![BU of 3m4b by Molmil](/molmil-images/mine/3m4b) | A Zn-mediated tetrahedral protein lattice cage | 分子名称: | ACETATE ION, PROTOPORPHYRIN IX CONTAINING FE, Soluble cytochrome b562, ... | 著者 | Tezcan, F.A, Ni, T.W. | 登録日 | 2010-03-10 | 公開日 | 2011-01-12 | 最終更新日 | 2021-10-06 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural characterization of a microperoxidase inside a metal-directed protein cage. Angew.Chem.Int.Ed.Engl., 49, 2010
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6X8X
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6AQF
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![BU of 6aqf by Molmil](/molmil-images/mine/6aqf) | Crystal structure of A2AAR-BRIL in complex with the antagonist ZM241385 produced from Pichia pastoris | 分子名称: | (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, ... | 著者 | Eddy, M.T, Lee, M.Y, Gao, Z, White, K, Didenko, T, Horst, R, Audet, M, Stanczak, P, McClary, K.M, Han, G.W, Jacobson, K.A, Stevens, R.C, Wuthrich, K. | 登録日 | 2017-08-19 | 公開日 | 2018-01-10 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Allosteric Coupling of Drug Binding and Intracellular Signaling in the A2A Adenosine Receptor. Cell, 172, 2018
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6RZ5
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![BU of 6rz5 by Molmil](/molmil-images/mine/6rz5) | XFEL crystal structure of the human cysteinyl leukotriene receptor 1 in complex with zafirlukast | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Cysteinyl leukotriene receptor 1,Soluble cytochrome b562,Cysteinyl leukotriene receptor 1, OLEIC ACID, ... | 著者 | Luginina, A, Gusach, A, Marin, E, Mishin, A, Brouillette, R, Popov, P, Shiryaeva, A, Besserer-Offroy, E, Longpre, J.M, Lyapina, E, Ishchenko, A, Patel, N, Polovinkin, V, Safronova, N, Bogorodskiy, A, Edelweiss, E, Liu, W, Batyuk, A, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Cherezov, V. | 登録日 | 2019-06-12 | 公開日 | 2019-10-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Structure-based mechanism of cysteinyl leukotriene receptor inhibition by antiasthmatic drugs. Sci Adv, 5, 2019
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8V89
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![BU of 8v89 by Molmil](/molmil-images/mine/8v89) | Alpha7-nicotinic acetylcholine receptor time resolved resting state | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Burke, S.M, Noviello, C.M, Hibbs, R.E. | 登録日 | 2023-12-05 | 公開日 | 2024-02-21 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (2.53 Å) | 主引用文献 | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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7S8M
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![BU of 7s8m by Molmil](/molmil-images/mine/7s8m) | CryoEM structure of Gi-coupled MRGPRX2 with peptide agonist Cortistatin-14 | 分子名称: | Cortistatin 14, 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 | Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L. | 登録日 | 2021-09-18 | 公開日 | 2021-11-17 | 最終更新日 | 2021-12-15 | 実験手法 | ELECTRON MICROSCOPY (2.54 Å) | 主引用文献 | Structure, function and pharmacology of human itch GPCRs. Nature, 600, 2021
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8J6P
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![BU of 8j6p by Molmil](/molmil-images/mine/8j6p) | Cryo-EM structure of the MK-6892-bound human HCAR2-Gi1 complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide, CHOLESTEROL, ... | 著者 | Mao, C, Gao, M, Zang, S, Zhu, Y, Ma, X, Zhang, Y. | 登録日 | 2023-04-26 | 公開日 | 2023-12-06 | 実験手法 | ELECTRON MICROSCOPY (2.55 Å) | 主引用文献 | Orthosteric and allosteric modulation of human HCAR2 signaling complex. Nat Commun, 14, 2023
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7S8O
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![BU of 7s8o by Molmil](/molmil-images/mine/7s8o) | CryoEM structure of Gi-coupled MRGPRX2 with small molecule agonist (R)-Zinc-3573 | 分子名称: | (3R)-N,N-dimethyl-1-[(8S)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine, 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 | Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L. | 登録日 | 2021-09-18 | 公開日 | 2021-11-17 | 最終更新日 | 2021-12-15 | 実験手法 | ELECTRON MICROSCOPY (2.58 Å) | 主引用文献 | Structure, function and pharmacology of human itch GPCRs. Nature, 600, 2021
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8JZ7
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![BU of 8jz7 by Molmil](/molmil-images/mine/8jz7) | Cryo-EM structure of MK-6892-bound HCAR2 in complex with Gi protein | 分子名称: | 2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-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 | Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H. | 登録日 | 2023-07-04 | 公開日 | 2023-10-04 | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | 主引用文献 | Orthosteric ligand selectivity and allosteric probe dependence at Hydroxycarboxylic acid receptor HCAR2. Signal Transduct Target Ther, 8, 2023
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7S8P
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![BU of 7s8p by Molmil](/molmil-images/mine/7s8p) | CryoEM structure of Gq-coupled MRGPRX4 with small molecule agonist MS47134 | 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 | Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L. | 登録日 | 2021-09-18 | 公開日 | 2021-11-17 | 最終更新日 | 2021-12-15 | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | 主引用文献 | Structure, function and pharmacology of human itch GPCRs. Nature, 600, 2021
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7WC6
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![BU of 7wc6 by Molmil](/molmil-images/mine/7wc6) | Crystal structure of serotonin 2A receptor in complex with LSD | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | 著者 | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | 登録日 | 2021-12-18 | 公開日 | 2022-01-26 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure-based discovery of nonhallucinogenic psychedelic analogs. Science, 375, 2022
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7WC7
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![BU of 7wc7 by Molmil](/molmil-images/mine/7wc7) | Crystal structure of serotonin 2A receptor in complex with lisuride | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, CHOLESTEROL, ... | 著者 | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | 登録日 | 2021-12-18 | 公開日 | 2022-01-26 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure-based discovery of nonhallucinogenic psychedelic analogs. Science, 375, 2022
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6OVH
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![BU of 6ovh by Molmil](/molmil-images/mine/6ovh) | Cryo-EM structure of Bimetallic dodecameric cage design 3 (BMC3) from cytochrome cb562 | 分子名称: | ACETOHYDROXAMIC ACID, FE (III) ION, HEME C, ... | 著者 | Golub, E, Subramanian, R.H, Yan, X, Alberstein, R.G, Tezcan, F.A. | 登録日 | 2019-05-07 | 公開日 | 2020-01-29 | 最終更新日 | 2020-02-19 | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | 主引用文献 | Constructing protein polyhedra via orthogonal chemical interactions. Nature, 578, 2020
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4QIN
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![BU of 4qin by Molmil](/molmil-images/mine/4qin) | Structure of the human smoothened receptor in complex with SAG1.5 | 分子名称: | 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 | 著者 | 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) | 登録日 | 2014-05-31 | 公開日 | 2014-07-23 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs. Nat Commun, 5, 2014
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7PYR
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![BU of 7pyr by Molmil](/molmil-images/mine/7pyr) | Crystal structure of the adenosine A2A receptor (A2A-PSB1-bRIL) in complex with preladenant conjugate PSB-2115 | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[2-[2-[2-[2-[2-[4-[4-[2-[7-azanyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[5-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-8-yl]pentyl]ethanamide, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | 著者 | Claff, T, Klapschinski, T.A, Tiruttani Subhramanyam, U.K, Vaassen, V.J, Schlegel, J.G, Vielmuth, C, Voss, J.H, Labahn, J, Muller, C.E. | 登録日 | 2021-10-11 | 公開日 | 2022-03-02 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Single Stabilizing Point Mutation Enables High-Resolution Co-Crystal Structures of the Adenosine A 2A Receptor with Preladenant Conjugates. Angew.Chem.Int.Ed.Engl., 61, 2022
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3M15
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![BU of 3m15 by Molmil](/molmil-images/mine/3m15) | |
5OLH
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![BU of 5olh by Molmil](/molmil-images/mine/5olh) | Structure of the A2A-StaR2-bRIL562-Vipadenant complex at 2.6A obtained from in meso soaking experiments. | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[(4-azanyl-3-methyl-phenyl)methyl]-7-(furan-2-yl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | 著者 | Rucktooa, P, Cheng, R.K.Y, Segala, E, Geng, T, Errey, J.C, Brown, G.A, Cooke, R, Marshall, F.H, Dore, A.S. | 登録日 | 2017-07-27 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Towards high throughput GPCR crystallography: In Meso soaking of Adenosine A2A Receptor crystals. Sci Rep, 8, 2018
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8J6Q
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![BU of 8j6q by Molmil](/molmil-images/mine/8j6q) | Cryo-EM structure of the 3-HB and compound 9n-bound human HCAR2-Gi1 complex | 分子名称: | (3R)-3-hydroxybutanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide, ... | 著者 | Mao, C, Gao, M, Zang, S, Zhu, Y, Ma, X, Zhang, Y. | 登録日 | 2023-04-26 | 公開日 | 2023-12-06 | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | 主引用文献 | Orthosteric and allosteric modulation of human HCAR2 signaling complex. Nat Commun, 14, 2023
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7F61
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![BU of 7f61 by Molmil](/molmil-images/mine/7f61) | |
5ZK3
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![BU of 5zk3 by Molmil](/molmil-images/mine/5zk3) | Crystal structure of rationally thermostabilized M2 muscarinic acetylcholine receptor bound with QNB | 分子名称: | (3R)-1-azabicyclo[2.2.2]oct-3-yl hydroxy(diphenyl)acetate, Muscarinic acetylcholine receptor M2,Apo-cytochrome b562,Muscarinic acetylcholine receptor M2 | 著者 | Suno, R, Maeda, S, Yasuda, S, Yamashita, K, Hirata, K, Horita, S, Tawaramoto, M.S, Tsujimoto, H, Murata, T, Kinoshita, M, Yamamoto, M, Kobilka, B.K, Iwata, S, Kobayashi, T. | 登録日 | 2018-03-23 | 公開日 | 2018-11-21 | 最終更新日 | 2022-03-23 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural insights into the subtype-selective antagonist binding to the M2muscarinic receptor Nat. Chem. Biol., 14, 2018
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4QIM
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![BU of 4qim by Molmil](/molmil-images/mine/4qim) | Structure of the human smoothened receptor in complex with ANTA XV | 分子名称: | 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 | 著者 | 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) | 登録日 | 2014-05-31 | 公開日 | 2014-07-23 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs. Nat Commun, 5, 2014
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8V82
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![BU of 8v82 by Molmil](/molmil-images/mine/8v82) | Alpha7-nicotinic acetylcholine receptor bound to epibatidine and PNU-120596 | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Burke, S.M, Noviello, C.M, Hibbs, R.E. | 登録日 | 2023-12-04 | 公開日 | 2024-02-21 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (2.61 Å) | 主引用文献 | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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