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8DZQ
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BU of 8dzq by Molmil
momSalB bound Kappa Opioid Receptor in complex with GoA
Descriptor: 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, ...
Authors:Fay, J.F, Che, T.
Deposit date:2022-08-08
Release date:2023-05-03
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (2.82 Å)
Cite:Ligand and G-protein selectivity in the kappa-opioid receptor.
Nature, 617, 2023
8DZP
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BU of 8dzp by Molmil
momSalB bound Kappa Opioid Receptor in complex with Gi1
Descriptor: 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(i) subunit alpha-1, ...
Authors:Fay, J.F, Che, T.
Deposit date:2022-08-08
Release date:2023-05-03
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Ligand and G-protein selectivity in the kappa-opioid receptor.
Nature, 617, 2023
8DWH
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BU of 8dwh by Molmil
CryoEM structure of Gq-coupled MRGPRX1 with ligand Compound-16
Descriptor: 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, ...
Authors:Liu, Y, Cao, C, Fay, J.F, Roth, B.L.
Deposit date:2022-08-01
Release date:2022-11-02
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Ligand recognition and allosteric modulation of the human MRGPRX1 receptor.
Nat.Chem.Biol., 19, 2023
8DWG
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BU of 8dwg by Molmil
CryoEM structure of Gq-coupled MRGPRX1 with peptide ligand BAM8-22 and positive allosteric modulator ML382
Descriptor: 2-[(cyclopropanesulfonyl)amino]-N-(2-ethoxyphenyl)benzamide, Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Liu, Y, Cao, C, Fay, J.F, Roth, B.L.
Deposit date:2022-08-01
Release date:2022-11-02
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Ligand recognition and allosteric modulation of the human MRGPRX1 receptor.
Nat.Chem.Biol., 19, 2023
8DWC
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BU of 8dwc by Molmil
CryoEM structure of Gq-coupled MRGPRX1 with peptide agonist BAM8-22
Descriptor: 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, ...
Authors:Liu, Y, Cao, C, Fay, J.F, Roth, B.L.
Deposit date:2022-08-01
Release date:2022-11-02
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Ligand recognition and allosteric modulation of the human MRGPRX1 receptor.
Nat.Chem.Biol., 19, 2023
8DU3
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BU of 8du3 by Molmil
Crystal structure of A2AAR-StaR2-bRIL in complex with compound 21a
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (4M)-6-bromo-4-(furan-2-yl)quinazolin-2-amine, Adenosine receptor A2a, ...
Authors:Shiriaeva, A, Stauch, B, Han, G.W, Cherezov, V.
Deposit date:2022-07-26
Release date:2022-08-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:High ligand efficiency quinazoline compounds as novel A 2A adenosine receptor antagonists.
Eur.J.Med.Chem., 241, 2022
8DPI
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BU of 8dpi by Molmil
Cryo-EM structure of the 5HT2C receptor (VSV isoform) bound to lorcaserin
Descriptor: (1R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine, 5-hydroxytryptamine receptor 2C, Antibody fragment scFv16, ...
Authors:Gumpper, R.H, Fay, J.F, Roth, B.L.
Deposit date:2022-07-15
Release date:2022-08-24
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Molecular insights into the regulation of constitutive activity by RNA editing of 5HT 2C serotonin receptors.
Cell Rep, 40, 2022
8DPH
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BU of 8dph by Molmil
Cryo-EM structure of the 5HT2C receptor (VGV isoform) bound to lorcaserin
Descriptor: (1R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine, 5-hydroxytryptamine receptor 2C, Antibody fragment scFv16, ...
Authors:Gumpper, R.H, Fay, J.F, Roth, B.L.
Deposit date:2022-07-15
Release date:2022-08-24
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular insights into the regulation of constitutive activity by RNA editing of 5HT 2C serotonin receptors.
Cell Rep, 40, 2022
8DPG
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BU of 8dpg by Molmil
Cryo-EM structure of the 5HT2C receptor (INI isoform) bound to psilocin
Descriptor: 3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-ol, 5-hydroxytryptamine receptor 2C, Antibody fragment scFv16, ...
Authors:Gumpper, R.H, Fay, J.F, Roth, B.L.
Deposit date:2022-07-15
Release date:2022-08-24
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Molecular insights into the regulation of constitutive activity by RNA editing of 5HT 2C serotonin receptors.
Cell Rep, 40, 2022
8DPF
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BU of 8dpf by Molmil
Cryo-EM structure of the 5HT2C receptor (INI isoform) bound to lorcaserin
Descriptor: (1R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine, 5-hydroxytryptamine receptor 2C, Antibody fragment scFv16, ...
Authors:Gumpper, R.H, Fay, J.F, Roth, B.L.
Deposit date:2022-07-15
Release date:2022-08-24
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Molecular insights into the regulation of constitutive activity by RNA editing of 5HT 2C serotonin receptors.
Cell Rep, 40, 2022
8DCS
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BU of 8dcs by Molmil
Cryo-EM structure of cyanopindolol-bound beta1-adrenergic receptor in complex with heterotrimeric Gs-protein
Descriptor: 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile, Endolysin,Endolysin,Beta-1 adrenergic receptor chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Su, M, Paknejad, N, Hite, R.K, Huang, X.Y.
Deposit date:2022-06-17
Release date:2022-07-27
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structures of beta 1 -adrenergic receptor in complex with Gs and ligands of different efficacies.
Nat Commun, 13, 2022
8DCR
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BU of 8dcr by Molmil
Cryo-EM structure of dobutamine-bound beta1-adrenergic receptor in complex with heterotrimeric Gs-protein
Descriptor: DOBUTAMINE, Endolysin,Endolysin,Beta-1 adrenergic receptor chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Su, M, Paknejad, N, Hite, R.K, Huang, X.Y.
Deposit date:2022-06-17
Release date:2022-07-27
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structures of beta 1 -adrenergic receptor in complex with Gs and ligands of different efficacies.
Nat Commun, 13, 2022
8CU7
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BU of 8cu7 by Molmil
Crystal structure of A2AAR-StaR2-bRIL in complex with a novel A2a antagonist, LJ-4517
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol, Adenosine receptor A2a,Soluble cytochrome b562, ...
Authors:Shiriaeva, A, Park, D.-J, Kim, G, Lee, Y, Hou, X, Jarhad, D.B, Kim, G, Yu, J, Hyun, Y.E, Kim, W, Gao, Z.-G, Jacobson, K.A, Han, G.W, Stevens, R.C, Jeong, L.S, Choi, S, Cherezov, V.
Deposit date:2022-05-16
Release date:2022-08-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:GPCR Agonist-to-Antagonist Conversion: Enabling the Design of Nucleoside Functional Switches for the A 2A Adenosine Receptor.
J.Med.Chem., 65, 2022
8CU6
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BU of 8cu6 by Molmil
Crystal structure of A2AAR-StaR2-S277-bRIL in complex with a novel A2a antagonist, LJ-4517
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol, Adenosine receptor A2a,Soluble cytochrome b562, ...
Authors:Shiriaeva, A, Park, D.-J, Kim, G, Lee, Y, Hou, X, Jarhad, D.B, Kim, G, Yu, J, Hyun, Y.E, Kim, W, Gao, Z.-G, Jacobson, K.A, Han, G.W, Stevens, R.C, Jeong, L.S, Choi, S, Cherezov, V.
Deposit date:2022-05-16
Release date:2022-08-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:GPCR Agonist-to-Antagonist Conversion: Enabling the Design of Nucleoside Functional Switches for the A 2A Adenosine Receptor.
J.Med.Chem., 65, 2022
8CIC
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BU of 8cic by Molmil
Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with clinical candidate Etrumadenant
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, ...
Authors:Cheng, R.K.Y, Markovic-Mueller, S, Hennig, M.
Deposit date:2023-02-09
Release date:2023-05-31
Last modified:2023-06-14
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Crystal structure of adenosine A 2A receptor in complex with clinical candidate Etrumadenant reveals unprecedented antagonist interaction.
Commun Chem, 6, 2023
8C9W
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BU of 8c9w by Molmil
Crystal structure of the adenosine A2A receptor (construct A2A-PSB2-bRIL) complexed with Etrumadenant at the orthosteric pocket
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, ...
Authors:Strater, N, Claff, T, Schlegel, J.G, Voss, J.H, Vaassen, V, Muller, C.E.
Deposit date:2023-01-23
Release date:2023-07-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.114 Å)
Cite:Crystal structure of adenosine A 2A receptor in complex with clinical candidate Etrumadenant reveals unprecedented antagonist interaction.
Commun Chem, 6, 2023
8A6E
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BU of 8a6e by Molmil
100 picosecond light activated crystal structure of bovine rhodopsin in Lipidic Cubic Phase (SACLA)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gruhl, T, Weinert, T, Rodrigues, M.J, Milne, C.J, Ortolani, G, Nass, K, Nango, E, Sen, S, Johnson, P.J.M, Cirelli, C, Furrer, A, Mous, S, Skopintsev, P, James, D, Dworkowski, F, Baath, P, Kekilli, D, Oserov, D, Tanaka, R, Glover, H, Bacellar, C, Bruenle, S, Casadei, C.M, Diethelm, A.D, Gashi, D, Gotthard, G, Guixa-Gonzalez, R, Joti, Y, Kabanova, V, Knopp, G, Lesca, E, Ma, P, Martiel, I, Muehle, J, Owada, S, Pamula, F, Sarabi, D, Tejero, O, Tsai, C.J, Varma, N, Wach, A, Boutet, S, Tono, K, Nogly, P, Deupi, X, Iwata, S, Neutze, R, Standfuss, J, Schertler, G.F.X, Panneels, V.
Deposit date:2022-06-17
Release date:2023-03-29
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ultrafast structural changes direct the first molecular events of vision.
Nature, 615, 2023
8A6D
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BU of 8a6d by Molmil
10 picosecond light activated crystal structure of bovine rhodopsin in Lipidic Cubic Phase
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gruhl, T, Weinert, T, Rodrigues, M.J, Milne, C.J, Ortolani, G, Nass, K, Nango, E, Sen, S, Johnson, P.J.M, Cirelli, C, Furrer, A, Mous, S, Skopintsev, P, James, D, Dworkowski, F, Baath, P, Kekilli, D, Oserov, D, Tanaka, R, Glover, H, Bacellar, C, Bruenle, S, Casadei, C.M, Diethelm, A.D, Gashi, D, Gotthard, G, Guixa-Gonzalez, R, Joti, Y, Kabanova, V, Knopp, G, Lesca, E, Ma, P, Martiel, I, Muehle, J, Owada, S, Pamula, F, Sarabi, D, Tejero, O, Tsai, C.J, Varma, N, Wach, A, Boutet, S, Tono, K, Nogly, P, Deupi, X, Iwata, S, Neutze, R, Standfuss, J, Schertler, G.F.X, Panneels, V.
Deposit date:2022-06-17
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ultrafast structural changes direct the first molecular events of vision.
Nature, 615, 2023
8A6C
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BU of 8a6c by Molmil
1 picosecond light activated crystal structure of bovine rhodopsin in Lipidic Cubic Phase
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gruhl, T, Weinert, T, Rodrigues, M.J, Milne, C.J, Ortolani, G, Nass, K, Nango, E, Sen, S, Johnson, P.J.M, Cirelli, C, Furrer, A, Mous, S, Skopintsev, P, James, D, Dworkowski, F, Baath, P, Kekilli, D, Oserov, D, Tanaka, R, Glover, H, Bacellar, C, Bruenle, S, Casadei, C.M, Diethelm, A.D, Gashi, D, Gotthard, G, Guixa-Gonzalez, R, Joti, Y, Kabanova, V, Knopp, G, Lesca, E, Ma, P, Martiel, I, Muehle, J, Owada, S, Pamula, F, Sarabi, D, Tejero, O, Tsai, C.J, Varma, N, Wach, A, Boutet, S, Tono, K, Nogly, P, Deupi, X, Iwata, S, Neutze, R, Standfuss, J, Schertler, G.F.X, Panneels, V.
Deposit date:2022-06-17
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ultrafast structural changes direct the first molecular events of vision.
Nature, 615, 2023
8A2P
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BU of 8a2p by Molmil
Room-temperature structure of the stabilised A2A-LUAA47070 complex determined by synchrotron serial crystallography
Descriptor: 4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{N}-(1,3-thiazol-2-yl)benzamide, Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ...
Authors:Moraes, I, Kwan, T.O.C, Axford, D.
Deposit date:2022-06-06
Release date:2023-08-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:A versatile approach to high-density microcrystals in lipidic cubic phase for room-temperature serial crystallography.
J.Appl.Crystallogr., 56, 2023
8A2O
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BU of 8a2o by Molmil
Room-temperature structure of the stabilised A2A-Theophylline complex determined by synchrotron serial crystallography
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ...
Authors:Moraes, I, Kwan, T.O.C, Axford, D.
Deposit date:2022-06-06
Release date:2023-08-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:A versatile approach to high-density microcrystals in lipidic cubic phase for room-temperature serial crystallography.
J.Appl.Crystallogr., 56, 2023
7ZLY
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BU of 7zly by Molmil
Crystal structure of human GPCR Niacin receptor (HCA2) expressed from Spodoptera frugiperda
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Hydroxycarboxylic acid receptor 2,Soluble cytochrome b562, OLEIC ACID
Authors:Yang, Y, Kang, H.J, Gao, R.G, Wang, J.J, FiBerto, J.F, Wu, L.J, Tong, J.H, Han, G.W, Qu, L, Wu, Y.R, Pileski, R, Li, X.M, Zhang, X.C, Zhao, S.W, Kenakin, T, Wang, Q, Stevens, R.C, Peng, W, Roth, B.L, Rao, Z.H, Liu, Z.J.
Deposit date:2022-04-17
Release date:2023-04-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural insights into the human niacin receptor HCA2-G i signalling complex.
Nat Commun, 14, 2023
7ZL9
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BU of 7zl9 by Molmil
Crystal structure of human GPCR Niacin receptor (HCA2)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DI(HYDROXYETHYL)ETHER, Hydroxycarboxylic acid receptor 2,Soluble cytochrome b562, ...
Authors:Yang, Y, Kang, H.J, Gao, R.G, Wang, J.J, Han, G.W, FiBerto, J.F, Wu, L.J, Tong, J.H, Qu, L, Wu, Y.R, Pileski, R, Li, X.M, Zhang, X.C, Zhao, S.W, Kenakin, T, Wang, Q, Stevens, R.C, Peng, W, Roth, B.L, Rao, Z.H, Liu, Z.J.
Deposit date:2022-04-14
Release date:2023-04-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural insights into the human niacin receptor HCA2-G i signalling complex.
Nat Commun, 14, 2023
7ZBE
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BU of 7zbe by Molmil
Dark state crystal structure of bovine rhodopsin in Lipidic Cubic Phase (SwissFEL)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gruhl, T, Weinert, T, Rodrigues, M.J, Milne, C, Ortolani, G, Nass, K, Nango, E, Sen, S, Johnson, P, Cirelli, C, Furrer, A, Mous, S, Skopintsev, P, James, D, Dworkowski, F, Baath, P, Kekilli, D, Oserov, D, Tanaka, R, Glover, H, Bacellar, C, Bruenle, S, Casadei, C, Diethelm, A, Gashi, D, Gotthard, G, Guixa-Gonzalez, R, Joti, Y, Kabanova, V, Knopp, G, Lesca, E, Ma, P, Martiel, I, Muehle, J, Owada, S, Pamula, F, Sarabi, D, Tejero, O, Tsai, C.J, Varma, N, Wach, A, Boutet, S, Tono, K, Nogly, P, Deupi, X, Iwata, S, Neutze, R, Standfuss, J, Schertler, G.F.X, Panneels, V.
Deposit date:2022-03-23
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ultrafast structural changes direct the first molecular events of vision.
Nature, 615, 2023
7ZBC
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BU of 7zbc by Molmil
Dark state crystal structure of bovine rhodopsin in Lipidic Cubic Phase (SACLA)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gruhl, T, Weinert, T, Rodrigues, M.J, Milne, C, Ortolani, G, Nass, K, Nango, E, Sen, S, Johnson, P, Cirelli, C, Furrer, A, Mous, S, Skopintsev, P, James, D, Dworkowski, F, Baath, P, Kekilli, D, Oserov, D, Tanaka, R, Glover, H, Bacellar, C, Bruenle, S, Casadei, C, Diethelm, A, Gashi, D, Gotthard, G, Guixa-Gonzalez, R, Joti, Y, Kabanova, V, Knopp, G, Lesca, E, Ma, P, Martiel, I, Muehle, J, Owada, S, Pamula, F, Sarabi, S, Tejero, O, Tsai, C.J, Varma, N, Wach, A, Boutet, S, Tono, K, Nogly, P, Deupi, X, Iwata, S, Neutze, R, Standfuss, J, Schertler, G.F.X, Panneels, V.
Deposit date:2022-03-23
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ultrafast structural changes direct the first molecular events of vision.
Nature, 615, 2023

223532

数据于2024-08-07公开中

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