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6W25
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Crystal structure of the Melanocortin-4 Receptor (MC4R) in complex with SHU9119
分子名称: CALCIUM ION, Melanocortin receptor 4,GlgA glycogen synthase,Melanocortin receptor 4, OLEIC ACID, ...
著者Yu, J, Gimenez, L.E, Hernandez, C.C, Wu, Y, Wein, A.H, Han, G.W, McClary, K, Mittal, S.R, Burdsall, K, Stauch, B, Wu, L, Stevens, S.N, Peisley, A, Williams, S.Y, Chen, V, Millhauser, G.L, Zhao, S, Cone, R.D, Stevens, R.C.
登録日2020-03-04
公開日2020-04-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Determination of the melanocortin-4 receptor structure identifies Ca2+as a cofactor for ligand binding.
Science, 368, 2020
6WGT
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Crystal structure of HTR2A with hallucinogenic agonist
分子名称: (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562 fusion, CHOLESTEROL, ...
著者Kim, K.L, Che, T, Krumm, B.E, Roth, B.L.
登録日2020-04-06
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structure of a Hallucinogen-Activated Gq-Coupled 5-HT 2A Serotonin Receptor
Cell(Cambridge,Mass.), 182, 2020
6WH4
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Crystal structure of HTR2A with inverse agonist
分子名称: 1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562 fusion, CHOLESTEROL, ...
著者Kim, K.L, Che, T, Krumm, B.E, Roth, B.L.
登録日2020-04-07
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structure of a Hallucinogen-Activated Gq-Coupled 5-HT 2A Serotonin Receptor
Cell(Cambridge,Mass.), 182, 2020
6WHA
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HTR2A bound to 25-CN-NBOH in complex with a mini-Galpha-q protein, beta/gamma subunits and an active-state stabilizing single-chain variable fragment (scFv16) obtained by cryo-electron microscopy (cryoEM)
分子名称: 4-(2-{[(2-hydroxyphenyl)methyl]amino}ethyl)-2,5-dimethoxybenzonitrile, G subunit q (Gi2-mini-Gq chimeric), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Skiniotis, G, Roth, B, Kim, K, Panova, O.
登録日2020-04-07
公開日2020-09-23
実験手法ELECTRON MICROSCOPY (3.36 Å)
主引用文献Structure of a Hallucinogen-Activated Gq-Coupled 5-HT2A Serotonin Receptor
Cell(Cambridge,Mass.), 182, 2020
6WJC
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Muscarinic acetylcholine receptor 1 - muscarinic toxin 7 complex
分子名称: (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE, ACETAMIDE, CHOLESTEROL HEMISUCCINATE, ...
著者Maeda, S, Kobilka, B.K.
登録日2020-04-13
公開日2020-07-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structure and selectivity engineering of the M1muscarinic receptor toxin complex.
Science, 369, 2020
6WQA
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2.0A angstrom A2a adenosine receptor structure using XFEL data collected in helium atmosphere.
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Lee, M.-Y, Geiger, J, Ishchenko, A, Han, G.W, Barty, A, White, T.A, Gati, C, Batyuk, A, Hunter, M.S, Aquila, A, Boutet, S, Weierstall, U, Cherezov, V, Liu, W.
登録日2020-04-28
公開日2020-11-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Harnessing the power of an X-ray laser for serial crystallography of membrane proteins crystallized in lipidic cubic phase
Iucrj, 7, 2020
6WWZ
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Cryo-EM structure of the human chemokine receptor CCR6 in complex with CCL20 and a Go protein
分子名称: C-C chemokine receptor type 6,C-C chemokine receptor type 6, C-C motif chemokine 20, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Wasilko, D.J, Johnson, Z.L, Ammirati, M, Han, S, Wu, H.
登録日2020-05-09
公開日2020-06-24
最終更新日2020-07-01
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Structural basis for chemokine receptor CCR6 activation by the endogenous protein ligand CCL20.
Nat Commun, 11, 2020
6YVR
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Crystal structure of the neurotensin receptor 1 in complex with the peptide full agonist NTS8-13
分子名称: Neurotensin receptor type 1,Neurotensin receptor type 1,DARPin crystallisation chaperone, neurotensin NTS8-13 (full agonist), nonyl beta-D-glucopyranoside
著者Deluigi, M, Merklinger, L, Hilge, M, Ernst, P, Klipp, A, Klenk, C, Plueckthun, A.
登録日2020-04-28
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.458 Å)
主引用文献Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism.
Sci Adv, 7, 2021
6Z10
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Crystal structure of a humanized (K18E, K269N) rat succinate receptor SUCNR1 (GPR91) in complex with a nanobody and antagonist
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[2-[[3-[4-chloranyl-2-fluoranyl-5-[(3~{R})-piperidin-3-yl]oxy-phenyl]-2-fluoranyl-phenyl]carbonylamino]-5-fluoranyl-phenyl]ethanoic acid, CHLORIDE ION, ...
著者Haffke, M, Villard, F.
登録日2020-05-11
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.269 Å)
主引用文献Discovery and Optimization of Novel SUCNR1 Inhibitors: Design of Zwitterionic Derivatives with a Salt Bridge for the Improvement of Oral Exposure.
J.Med.Chem., 63, 2020
6Z4Q
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Crystal structure of the neurotensin receptor 1 in complex with the small-molecule inverse agonist SR142948A
分子名称: 2-[[5-(2,6-dimethoxyphenyl)-1-[4-[3-(dimethylamino)propyl-methyl-carbamoyl]-2-propan-2-yl-phenyl]pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid, Neurotensin receptor type 1,Neurotensin receptor type 1,DARPin
著者Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A.
登録日2020-05-25
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.923 Å)
主引用文献Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism.
Sci Adv, 7, 2021
6Z4S
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Crystal structure of the neurotensin receptor 1 (NTSR1-H4bmx) in complex with the small molecule inverse agonist SR48692
分子名称: 2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid, Neurotensin receptor type 1,DARPin,HRV 3C protease recognition sequence
著者Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A.
登録日2020-05-25
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.707 Å)
主引用文献Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism.
Sci Adv, 7, 2021
6Z4V
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Crystal structure of the neurotensin receptor 1 (NTSR1-H4bmx) in complex with NTS8-13
分子名称: ARG-PRO-TYR-ILE-LEU, Neurotensin receptor type 1,Neurotensin receptor type 1,DARPin
著者Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A.
登録日2020-05-25
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.595 Å)
主引用文献Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism.
Sci Adv, 7, 2021
6Z66
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Crystal structure of apo-state neurotensin receptor 1
分子名称: Neurotensin receptor type 1,Neurotensin receptor type 1,DARPin
著者Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A.
登録日2020-05-27
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.192 Å)
主引用文献Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism.
Sci Adv, 7, 2021
6Z8N
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Crystal structure of the neurotensin receptor 1 in complex with the small-molecule full agonist SRI-9829
分子名称: (2~{S})-4-methyl-2-[(1-quinolin-8-ylsulfonylindol-3-yl)carbonylamino]pentanoic acid, Neurotensin receptor type 1,Neurotensin receptor type 1,Neurotensin receptor type 1,Neurotensin receptor type 1,Neurotensin receptor 1 (NTSR1),Neurotensin receptor 1 (NTSR1)
著者Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A.
登録日2020-06-02
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.803 Å)
主引用文献Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism.
Sci Adv, 7, 2021
6ZA8
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Crystal structure of the neurotensin receptor 1 in complex with the small-molecule partial agonist RTI-3a
分子名称: (2~{S})-2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]-4-methyl-pentanoic acid, Neurotensin receptor type 1,Neurotensin receptor type 1,Neurotensin receptor 1 (NTSR1),Neurotensin receptor 1 (NTSR1),Neurotensin receptor type 1,Neurotensin receptor 1 (NTSR1),Neurotensin receptor 1 (NTSR1)
著者Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A.
登録日2020-06-05
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism.
Sci Adv, 7, 2021
6ZDR
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Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with Chromone 4d
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ...
著者Verdon, G, Jespers, W, Azuaje, J, Majellaro, M, Keranen, H, Garcia-mera, X, Congreve, M, Deflorian, F, de Graaf, C, Zhukov, A, Dore, A, Mason, J, Aqvist, J, Cooke, R, Sotelo, E, Gutierrez-de-Teran, H.
登録日2020-06-15
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.918 Å)
主引用文献X-Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A 2A Adenosine Receptor Antagonists.
Angew.Chem.Int.Ed.Engl., 59, 2020
6ZDV
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Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with Chromone 5d
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Verdon, G, Jespers, W, Azuaje, J, Majellaro, M, Keranen, H, Garcia-mera, X, Congreve, M, Deflorian, F, de Graaf, C, Zhukov, A, Dore, A, Mason, J, Aqvist, J, Cooke, R, Sotelo, E, Gutierrez-de-Teran, H.
登録日2020-06-15
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献X-Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A 2A Adenosine Receptor Antagonists.
Angew.Chem.Int.Ed.Engl., 59, 2020
6ZFZ
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Structure of M1-StaR-T4L in complex with 77-LH-28-1 at 2.17A
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Rucktooa, P, Cooke, R.M.
登録日2020-06-18
公開日2021-10-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献From structure to clinic: Design of a muscarinic M1 receptor agonist with potential to treatment of Alzheimer's disease.
Cell, 184, 2021
6ZG4
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Structure of M1-StaR-T4L in complex with HTL0009936 at 2.35A
分子名称: Muscarinic acetylcholine receptor M1,Endolysin,Muscarinic acetylcholine receptor M1, OLEIC ACID, PHOSPHATE ION, ...
著者Rucktooa, P, Cooke, R.M.
登録日2020-06-18
公開日2021-10-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献From structure to clinic: Design of a muscarinic M1 receptor agonist with potential to treatment of Alzheimer's disease.
Cell, 184, 2021
6ZG9
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Structure of M1-StaR-T4L in complex with GSK1034702 at 2.5A
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 7-fluoranyl-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1~{H}-benzimidazol-2-one, Muscarinic acetylcholine receptor M1,Endolysin,Muscarinic acetylcholine receptor M1, ...
著者Rucktooa, P, Cooke, R.M.
登録日2020-06-18
公開日2021-10-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献From structure to clinic: Design of a muscarinic M1 receptor agonist with potential to treatment of Alzheimer's disease.
Cell, 184, 2021
6ZIN
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Crystal structure of the neurotensin receptor 1 in complex with the small molecule inverse agonist SR48692
分子名称: 2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid, Neurotensin receptor type 1,DARPin,HRV 3C protease recognition sequence
著者Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A.
登録日2020-06-26
公開日2021-02-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.639 Å)
主引用文献Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism.
Sci Adv, 7, 2021
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
7AUE
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Melanocortin receptor 4 (MC4R) Gs protein complex
分子名称: AMINOSERINE, CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Degtjarik, O, Israeli, H, Prabahar, V, Shalev-Benami, M.
登録日2020-11-02
公開日2021-04-28
最終更新日2023-03-15
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Structure reveals the activation mechanism of the MC4 receptor to initiate satiation signaling.
Science, 372, 2021
7BB6
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AVP-V2R-Galphas-beta1-gamma2-Nb35 (L state)
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(s) subunit alpha isoforms short, ...
著者Bous, J, Mouillac, B, Bron, P, Granier, S, Floquet, N, Leyrat, C.
登録日2020-12-17
公開日2021-06-02
最終更新日2021-06-30
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Cryo-electron microscopy structure of the antidiuretic hormone arginine-vasopressin V2 receptor signaling complex.
Sci Adv, 7, 2021
7BB7
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AVP-V2R-Galphas-beta1-gamma2-Nb35(T state)
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(s) subunit alpha isoforms short, ...
著者Bous, J, Mouillac, B, Bron, P, Granier, S, Floquet, N, Leyrat, C.
登録日2020-12-17
公開日2021-06-02
最終更新日2021-06-30
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Cryo-electron microscopy structure of the antidiuretic hormone arginine-vasopressin V2 receptor signaling complex.
Sci Adv, 7, 2021

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