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4EIY
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BU of 4eiy by Molmil
Crystal structure of the chimeric protein of A2aAR-BRIL in complex with ZM241385 at 1.8A resolution
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Liu, W, Chun, E, Thompson, A.A, Chubukov, P, Xu, F, Katritch, V, Han, G.W, Heitman, L.H, Ijzerman, A.P, Cherezov, V, Stevens, R.C, GPCR Network (GPCR)
登録日2012-04-06
公開日2012-07-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for allosteric regulation of GPCRs by sodium ions.
Science, 337, 2012
5T1A
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BU of 5t1a by Molmil
Structure of CC Chemokine Receptor 2 with Orthosteric and Allosteric Antagonists
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{R})-1-(4-chloranyl-2-fluoranyl-phenyl)-2-cyclohexyl-3-ethanoyl-4-oxidanyl-2~{H}-pyrrol-5-one, (3S)-1-{(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl}-3-{[6-(trifluoromethyl)quinazolin-4-yl]amino}pyrrolidin-2-one, ...
著者Zheng, Y, Qin, L, Ortiz Zacarias, N.V, de Vries, H, Han, G.W, Gustavsson, M, Dabros, M, Zhao, C, Cherney, R.J, Carter, P, Stamos, D, Abagyan, R, Cherezov, V, Stevens, R.C, IJzerman, A.P, Heitman, L.H, Tebben, A, Kufareva, I, Handel, T.M.
登録日2016-08-18
公開日2016-12-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.806 Å)
主引用文献Structure of CC chemokine receptor 2 with orthosteric and allosteric antagonists.
Nature, 540, 2016
5IU8
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BU of 5iu8 by Molmil
Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12f at 2.0A resolution
分子名称: (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, ...
著者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.
登録日2016-03-17
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength.
J.Med.Chem., 59, 2016
5IUA
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BU of 5iua by Molmil
Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12b at 2.2A resolution
分子名称: (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, ...
著者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.
登録日2016-03-17
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
分子名称: (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, ...
著者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.
登録日2016-03-17
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength.
J.Med.Chem., 59, 2016
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
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.
登録日2016-03-17
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献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
分子名称: (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, ...
著者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.
登録日2016-03-17
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength.
J.Med.Chem., 59, 2016
7ARO
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BU of 7aro by Molmil
Crystal structure of the non-ribose partial agonist LUF5833 bound to the adenosine A2A receptor
分子名称: 2-azanyl-6-(1~{H}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ...
著者Verdon, G, Amelia, T, van Veldhoven, J, Falsini, M, Liu, R, Heitman, L, van Westen, G, Segala, E, Cheng, R, Cooke, R, van der Es, D, Ijzerman, A.
登録日2020-10-25
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.119 Å)
主引用文献Crystal Structure and Subsequent Ligand Design of a Nonriboside Partial Agonist Bound to the Adenosine A 2A Receptor.
J.Med.Chem., 64, 2021
6YXM
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BU of 6yxm by Molmil
Crystal structure of ACPA 1F2 in complex with CII-C-39-CIT
分子名称: ACPA 1F2 Fab fragment - heavy chain, ACPA 1F2 Fab fragment - light chain, CII-C-39-CIT, ...
著者Ge, C, Holmdahl, R.
登録日2020-05-03
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Surface Ig variable domain glycosylation affects autoantigen binding and acts as threshold for human autoreactive B cell activation.
Sci Adv, 8, 2022
6YXK
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BU of 6yxk by Molmil
Crystal structure of ACPA 3F3 in complex with cit-vimentin 59-74
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACPA 3F3 Fab fragment - heavy chain, ACPA 3F3 Fab fragment - light chain, ...
著者Ge, C, Holmdahl, R.
登録日2020-05-03
公開日2021-05-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Surface Ig variable domain glycosylation affects autoantigen binding and acts as threshold for human autoreactive B cell activation.
Sci Adv, 8, 2022
6YXL
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BU of 6yxl by Molmil
Crystal structure of ACPA F3
分子名称: ACPA F3 Fab fragment - heavy chain, ACPA F3 Fab fragment - light chain, GLYCEROL, ...
著者Ge, C, Holmdahl, R.
登録日2020-05-03
公開日2021-05-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Surface Ig variable domain glycosylation affects autoantigen binding and acts as threshold for human autoreactive B cell activation.
Sci Adv, 8, 2022
8GUS
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BU of 8gus by Molmil
Cryo-EM structure of HU-CB2-G protein complex
分子名称: Cannabinoid receptor 2, 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Wu, L.J, Hua, T, Liu, Z.J, Li, X.T, Chang, H.
登録日2022-09-13
公開日2023-05-10
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Structural basis of selective cannabinoid CB 2 receptor activation.
Nat Commun, 14, 2023
8GUQ
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BU of 8guq by Molmil
Cryo-EM structure of CB2-G protein complex
分子名称: Cannabinoid receptor 2, 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Wu, L.J, Hua, T, Liu, Z.J, Li, X.T, Chang, H.
登録日2022-09-13
公開日2023-05-10
最終更新日2023-09-27
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Structural basis of selective cannabinoid CB 2 receptor activation.
Nat Commun, 14, 2023
8GUT
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BU of 8gut by Molmil
Cryo-EM structure of LEI-CB2-Gi complex
分子名称: 1-[[4-[5-fluoranyl-6-[(oxan-4-ylamino)methyl]pyridin-2-yl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione, Cannabinoid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Liu, Z.J, Hua, T, Li, X.T, Chang, H, Wu, L.J.
登録日2022-09-13
公開日2023-05-10
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Structural basis of selective cannabinoid CB 2 receptor activation.
Nat Commun, 14, 2023
8GUR
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BU of 8gur by Molmil
Cryo-EM structure of CP-CB2-G protein complex
分子名称: 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, Cannabinoid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Wu, L.J, Hua, T, Liu, Z.J, Li, X.T, Chang, H.
登録日2022-09-13
公開日2023-05-10
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Structural basis of selective cannabinoid CB 2 receptor activation.
Nat Commun, 14, 2023

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