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PDB: 1229 件
6TQ9
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BU of 6tq9 by Molmil
Crystal structure of the Orexin-1 receptor in complex with SB-408124
分子名称: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 1-[6,8-bis(fluoranyl)-2-methyl-quinolin-4-yl]-3-[4-(dimethylamino)phenyl]urea, Orexin receptor type 1, ...
著者Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A.
登録日2019-12-16
公開日2020-01-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.655 Å)
主引用文献Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 63, 2020
5YHL
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BU of 5yhl by Molmil
Crystal structure of the human prostaglandin E receptor EP4 in complex with Fab and an antagonist Br-derivative
分子名称: 4-[2-[[(2R)-2-(4-bromanylnaphthalen-1-yl)propanoyl]amino]-4-cyano-phenyl]butanoic acid, Heavy chain of Fab fragment, Light chain of Fab fragment, ...
著者Toyoda, Y, Morimoto, K, Suno, R, Horita, S, Iwata, S, Kobayashi, T.
登録日2017-09-28
公開日2018-12-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Ligand binding to human prostaglandin E receptor EP4at the lipid-bilayer interface.
Nat. Chem. Biol., 15, 2019
5YWY
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BU of 5ywy by Molmil
Crystal structure of the human prostaglandin E receptor EP4 in complex with Fab and ONO-AE3-208
分子名称: 4-[4-cyano-2-[[(2R)-2-(4-fluoranylnaphthalen-1-yl)propanoyl]amino]phenyl]butanoic acid, Heavy chain of Fab fragment, Light chain of Fab fragment, ...
著者Toyoda, Y, Morimoto, K, Suno, R, Horita, S, Iwata, S, Kobayashi, T.
登録日2017-11-30
公開日2018-12-05
最終更新日2018-12-19
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Ligand binding to human prostaglandin E receptor EP4at the lipid-bilayer interface.
Nat. Chem. Biol., 15, 2019
7SK9
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BU of 7sk9 by Molmil
Cryo-EM structure of human ACKR3 in complex with a small molecule partial agonist CCX662, and an intracellular Fab
分子名称: (1R)-4-[7-(3-carboxypropoxy)-6-methylquinolin-8-yl]-1-{[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl}-1,4-diazepan-1-ium, Atypical chemokine receptor 3, CHOLESTEROL, ...
著者Yen, Y.C, Schafer, C.T, Gustavsson, M, Handel, T.M, Tesmer, J.J.G.
登録日2021-10-19
公開日2022-07-27
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structures of atypical chemokine receptor 3 reveal the basis for its promiscuity and signaling bias.
Sci Adv, 8, 2022
8EA0
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BU of 8ea0 by Molmil
CryoEM structure of miniGq-coupled hM3R in complex with iperoxo (local refinement)
分子名称: 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, CHOLESTEROL HEMISUCCINATE, Muscarinic acetylcholine receptor M3
著者Zhang, S, Fay, J.F, Roth, B.L.
登録日2022-08-27
公開日2022-11-30
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (2.56 Å)
主引用文献Molecular basis for selective activation of DREADD-based chemogenetics.
Nature, 612, 2022
8E0G
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BU of 8e0g by Molmil
Re-refined model of active mu-opioid receptor (PDB 5c1m) as an adduct with BU72
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol, CHOLESTEROL, ...
著者Munro, T.A.
登録日2022-08-09
公開日2023-10-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Reanalysis of a mu opioid receptor crystal structure reveals a covalent adduct with BU72.
Bmc Biol., 21, 2023
6KR8
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BU of 6kr8 by Molmil
Structure of the beta2 adrenergic receptor in the full agonist bound state
分子名称: beta 2 adrenergic receptor
著者Imai, S, Shimada, I.
登録日2019-08-21
公開日2020-01-29
最終更新日2020-04-08
実験手法SOLUTION NMR
主引用文献Structural equilibrium underlying ligand-dependent activation of beta2-adrenoreceptor.
Nat.Chem.Biol., 16, 2020
6KUY
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BU of 6kuy by Molmil
Crystal structure of the alpha2A adrenergic receptor in complex with a partial agonist
分子名称: (2~{S})-4-fluoranyl-2-(1~{H}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole, Alpha2A adrenergic receptor, DI(HYDROXYETHYL)ETHER
著者Qu, L, Zhou, Q.T, Wu, D, Zhao, S.W.
登録日2019-09-02
公開日2019-12-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structures of the alpha2A adrenergic receptor in complex with a partial agonist
To Be Published
6KUX
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BU of 6kux by Molmil
Crystal structures of the alpha2A adrenergic receptor in complex with an antagonist RSC.
分子名称: (8~{a}~{R},12~{a}~{S},13~{a}~{S})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ...
著者Qu, L, Zhou, Q.T, Wu, D, Zhao, S.W.
登録日2019-09-02
公開日2019-12-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structures of the alpha2A adrenergic receptor in complex with an antagonist RSC.
To Be Published
6N48
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BU of 6n48 by Molmil
Structure of beta2 adrenergic receptor bound to BI167107, Nanobody 6B9, and a positive allosteric modulator
分子名称: (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Camelid Antibody Fragment, ...
著者Liu, X, Masoudi, A, Kahsai, A.W, Huang, L.Y, Pani, B, Hirata, K, Ahn, S, Lefkowitz, R.J, Kobilka, B.K.
登録日2018-11-17
公開日2019-06-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Mechanism of beta2AR regulation by an intracellular positive allosteric modulator.
Science, 364, 2019
8QOT
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BU of 8qot by Molmil
Structure of the mu opioid receptor bound to the antagonist nanobody NbE
分子名称: Anti-Fab Nanobody, Mu-type opioid receptor, NabFab HC, ...
著者Yu, J, Kumar, A, Zhang, X, Martin, C, Raia, P, Manglik, A, Ballet, S, Boland, A, Stoeber, M.
登録日2023-09-29
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural Basis of mu-Opioid Receptor-Targeting by a Nanobody Antagonist.
Biorxiv, 2023
7UL2
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BU of 7ul2 by Molmil
CryoEM Structure of Inactive NTSR1 Bound to SR48692 and Nb6
分子名称: 2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid, Nanobody 6, Neurotensin receptor 1, ...
著者Robertson, M.J, Skiniotis, G.
登録日2022-04-03
公開日2022-06-29
最終更新日2022-12-28
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Structure determination of inactive-state GPCRs with a universal nanobody.
Nat.Struct.Mol.Biol., 29, 2022
7UL4
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BU of 7ul4 by Molmil
CryoEM Structure of Inactive MOR Bound to Alvimopan and Mb6
分子名称: Megabody 6, Mu-type opioid receptor, N-[(2S)-2-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]methyl}-3-phenylpropanoyl]glycine
著者Robertson, M.J, Skiniotis, G.
登録日2022-04-03
公開日2022-06-29
最終更新日2022-12-28
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structure determination of inactive-state GPCRs with a universal nanobody.
Nat.Struct.Mol.Biol., 29, 2022
8GGJ
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BU of 8ggj by Molmil
Locally refined cryoEM structure of receptor from beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #2 of 20)
分子名称: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor
著者Papasergi-Scott, M.M, Skiniotis, G.
登録日2023-03-08
公開日2024-03-06
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
8GGK
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BU of 8ggk by Molmil
Locally refined cryoEM structure of receptor from beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #3 of 20)
分子名称: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor
著者Papasergi-Scott, M.M, Skiniotis, G.
登録日2023-03-08
公開日2024-03-06
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
8GGL
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BU of 8ggl by Molmil
Locally refined cryoEM structure of receptor from beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #4 of 20)
分子名称: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor
著者Papasergi-Scott, M.M, Skiniotis, G.
登録日2023-03-08
公開日2024-03-06
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
8GGM
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BU of 8ggm by Molmil
Locally refined cryoEM structure of receptor from beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #5 of 20)
分子名称: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor
著者Papasergi-Scott, M.M, Skiniotis, G.
登録日2023-03-08
公開日2024-03-06
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
8GGS
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BU of 8ggs by Molmil
Locally refined cryoEM structure of receptor from beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #11 of 20)
分子名称: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor
著者Papasergi-Scott, M.M, Skiniotis, G.
登録日2023-03-08
公開日2024-03-06
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
8GGO
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BU of 8ggo by Molmil
Locally refined cryoEM structure of receptor from beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #7 of 20)
分子名称: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor
著者Papasergi-Scott, M.M, Skiniotis, G.
登録日2023-03-08
公開日2024-03-06
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
8GGN
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BU of 8ggn by Molmil
Locally refined cryoEM structure of receptor from beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #6 of 20)
分子名称: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor
著者Papasergi-Scott, M.M, Skiniotis, G.
登録日2023-03-08
公開日2024-03-06
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
8GGR
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BU of 8ggr by Molmil
Locally refined cryoEM structure of receptor from beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #10 of 20)
分子名称: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor
著者Papasergi-Scott, M.M, Skiniotis, G.
登録日2023-03-08
公開日2024-03-06
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
8GGP
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BU of 8ggp by Molmil
Locally refined cryoEM structure of receptor from beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #8 of 20)
分子名称: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor
著者Papasergi-Scott, M.M, Skiniotis, G.
登録日2023-03-08
公開日2024-03-06
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
8GGQ
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BU of 8ggq by Molmil
Locally refined cryoEM structure of receptor from beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #9 of 20)
分子名称: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor
著者Papasergi-Scott, M.M, Skiniotis, G.
登録日2023-03-08
公開日2024-03-06
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
8GGT
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BU of 8ggt by Molmil
Locally refined cryoEM structure of receptor from beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #12 of 20)
分子名称: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor
著者Papasergi-Scott, M.M, Skiniotis, G.
登録日2023-03-08
公開日2024-03-06
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
8GGV
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BU of 8ggv by Molmil
Locally refined cryoEM structure of receptor from beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #14 of 20)
分子名称: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor
著者Papasergi-Scott, M.M, Skiniotis, G.
登録日2023-03-08
公開日2024-03-06
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024

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