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8DWG
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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
8DWC
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CryoEM structure of Gq-coupled MRGPRX1 with peptide agonist BAM8-22
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 (2.87 Å)
主引用文献Ligand recognition and allosteric modulation of the human MRGPRX1 receptor.
Nat.Chem.Biol., 19, 2023
8E9W
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CryoEM structure of miniGq-coupled hM3Dq in complex with DCZ
分子名称: 11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine, 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 (2.69 Å)
主引用文献Molecular basis for selective activation of DREADD-based chemogenetics.
Nature, 612, 2022
8E9X
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BU of 8e9x by Molmil
CryoEM structure of miniGo-coupled hM4Di in complex with DCZ
分子名称: 11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine, 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 (2.7 Å)
主引用文献Molecular basis for selective activation of DREADD-based chemogenetics.
Nature, 612, 2022
8E9Y
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BU of 8e9y by Molmil
CryoEM structure of miniGq-coupled hM3Dq in complex with CNO
分子名称: 8-chloro-11-(4-methyl-4-oxo-4lambda~5~-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine, 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 (2.79 Å)
主引用文献Molecular basis for selective activation of DREADD-based chemogenetics.
Nature, 612, 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
8E9Z
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CryoEM structure of miniGq-coupled hM3R in complex with Iperoxo
分子名称: 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, CHOLESTEROL HEMISUCCINATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
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 (2.69 Å)
主引用文献Molecular basis for selective activation of DREADD-based chemogenetics.
Nature, 612, 2022
8FN0
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CryoEM structure of Go-coupled NTSR1 with a biased allosteric modulator
分子名称: 2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol, 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Krumm, B.E, DiBerto, J.F, Olsen, R.H.J, Kang, H, Slocum, S.T, Zhang, S, Strachan, R.T, Fay, J.F, Roth, B.L.
登録日2022-12-26
公開日2023-03-29
最終更新日2023-04-19
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Neurotensin Receptor Allosterism Revealed in Complex with a Biased Allosteric Modulator.
Biochemistry, 62, 2023
8FMZ
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BU of 8fmz by Molmil
Neurotensin receptor allosterism revealed in complex with a biased allosteric modulator
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, MiniGq, ...
著者Krumm, B.E, Diberto, J.F, Olsen, R.H.J, Kang, H, Slocum, S.T, Zhang, S, Strachan, R.T, Fay, J.F, Roth, B.L.
登録日2022-12-26
公開日2023-03-29
最終更新日2023-04-19
実験手法ELECTRON MICROSCOPY (2.59 Å)
主引用文献Neurotensin Receptor Allosterism Revealed in Complex with a Biased Allosteric Modulator.
Biochemistry, 62, 2023
8FN1
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BU of 8fn1 by Molmil
CryoEM structure of Go-coupled NTSR1
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Krumm, B.E, DiBerto, J.F, Olsen, R.H.J, Kang, H, Slocum, S.T, Zhang, S, Strachan, R.T, Fay, J.F, Roth, B.L.
登録日2022-12-26
公開日2023-03-29
最終更新日2023-04-19
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Neurotensin Receptor Allosterism Revealed in Complex with a Biased Allosteric Modulator.
Biochemistry, 62, 2023
7F6G
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BU of 7f6g by Molmil
Cryo-EM structure of human angiotensin receptor AT1R in complex Gq proteins and Sar1-AngII
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin receptor AT1R, CHOLESTEROL, ...
著者Zhang, D, Xu, L, Zhan, Y, Guo, J, Zhang, H.
登録日2021-06-25
公開日2023-03-29
最終更新日2023-10-18
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural insights into angiotensin receptor signaling modulation by balanced and biased agonists.
Embo J., 42, 2023
7W6P
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BU of 7w6p by Molmil
Cryo-EM structure of the alpha2A adrenergic receptor GoA signaling complex bound to a G protein biased agonist
分子名称: Alpha-2A adrenergic receptor, 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Xu, J, Fink, E.A, Shoichet, B.K, Du, Y.
登録日2021-12-02
公開日2022-09-28
最終更新日2022-10-12
実験手法ELECTRON MICROSCOPY (3.47 Å)
主引用文献Structure-based discovery of nonopioid analgesics acting through the alpha 2A -adrenergic receptor.
Science, 377, 2022
7W7E
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BU of 7w7e by Molmil
Cryo-EM structure of the alpha2A adrenergic receptor GoA signaling complex bound to a biased agonist
分子名称: 5-(3-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,3,6-tetrahydropyridine, Alpha-2A adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Xu, J, Fink, E.A, Shoichet, B.K, Du, Y.
登録日2021-12-04
公開日2022-09-28
最終更新日2022-10-12
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure-based discovery of nonopioid analgesics acting through the alpha 2A -adrenergic receptor.
Science, 377, 2022
6ME9
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BU of 6me9 by Molmil
XFEL crystal structure of human melatonin receptor MT2 in complex with ramelteon
分子名称: N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide, Soluble cytochrome b562,Melatonin receptor type 1B,Rubredoxin, ZINC ION
著者Johansson, L.C, Stauch, B, McCorvy, J, Han, G.W, Patel, N, Batyuk, A, Gati, C, Li, C, Grandner, J, Hao, S, Olsen, R.H.J, Tribo, A.R, Zaare, S, Zhu, L, Zatsepin, N.A, Weierstall, U, Liu, W, Roth, B.L, Katritch, V, Cherezov, V.
登録日2018-09-05
公開日2019-04-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献XFEL structures of the human MT2melatonin receptor reveal the basis of subtype selectivity.
Nature, 569, 2019
6ME4
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BU of 6me4 by Molmil
XFEL crystal structure of human melatonin receptor MT1 in complex with 2-iodomelatonin
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide, ...
著者Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V.
登録日2018-09-05
公開日2019-04-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
6ME5
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BU of 6me5 by Molmil
XFEL crystal structure of human melatonin receptor MT1 in complex with agomelatine
分子名称: OLEIC ACID, chimera protein of Melatonin receptor type 1A and GlgA glycogen synthase, ~{N}-[2-(7-methoxynaphthalen-1-yl)ethyl]ethanamide
著者Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V.
登録日2018-09-05
公開日2019-04-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
6ME8
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BU of 6me8 by Molmil
XFEL crystal structure of human melatonin receptor MT2 (N86D) in complex with 2-phenylmelatonin
分子名称: N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide, Soluble cytochrome b562,Melatonin receptor type 1B,Rubredoxin, ZINC ION
著者Johansson, L.C, Stauch, B, McCorvy, J, Han, G.W, Patel, N, Batyuk, A, Gati, C, Li, C, Grandner, J, Hao, S, Olsen, R.H.J, Tribo, A.R, Zaare, S, Zhu, L, Zatsepin, N.A, Weierstall, U, Liu, W, Roth, B.L, Katritch, V, Cherezov, V.
登録日2018-09-05
公開日2019-04-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献XFEL structures of the human MT2melatonin receptor reveal the basis of subtype selectivity.
Nature, 569, 2019
6ME2
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BU of 6me2 by Molmil
XFEL crystal structure of human melatonin receptor MT1 in complex with ramelteon
分子名称: DI(HYDROXYETHYL)ETHER, N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide, OLEIC ACID, ...
著者Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V.
登録日2018-09-05
公開日2019-04-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
6ME3
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BU of 6me3 by Molmil
XFEL crystal structure of human melatonin receptor MT1 in complex with 2-phenylmelatonin
分子名称: DI(HYDROXYETHYL)ETHER, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide, OLEIC ACID, ...
著者Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V.
登録日2018-09-05
公開日2019-04-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
6ME7
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BU of 6me7 by Molmil
XFEL crystal structure of human melatonin receptor MT2 (H208A) in complex with 2-phenylmelatonin
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide, Soluble cytochrome b562,Melatonin receptor type 1B,Rubredoxin, ...
著者Johansson, L.C, Stauch, B, McCorvy, J, Han, G.W, Patel, N, Batyuk, A, Gati, C, Li, C, Grandner, J, Hao, S, Olsen, R.H.J, Tribo, A.R, Zaare, S, Zhu, L, Zatsepin, N.A, Weierstall, U, Liu, W, Roth, B.L, Katritch, V, Cherezov, V.
登録日2018-09-05
公開日2019-04-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献XFEL structures of the human MT2melatonin receptor reveal the basis of subtype selectivity.
Nature, 569, 2019
6ME6
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BU of 6me6 by Molmil
XFEL crystal structure of human melatonin receptor MT2 in complex with 2-phenylmelatonin
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide, Soluble cytochrome b562,Melatonin receptor type 1B,Rubredoxin, ...
著者Johansson, L.C, Stauch, B, McCorvy, J, Han, G.W, Patel, N, Batyuk, A, Gati, C, Li, C, Grandner, J, Hao, S, Olsen, R.H.J, Tribo, A.R, Zaare, S, Zhu, L, Zatsepin, N.A, Weierstall, U, Liu, W, Roth, B.L, Katritch, V, Cherezov, V.
登録日2018-09-05
公開日2019-04-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献XFEL structures of the human MT2melatonin receptor reveal the basis of subtype selectivity.
Nature, 569, 2019
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