4DKL
 
 | | Crystal structure of the mu-opioid receptor bound to a morphinan antagonist | | 分子名称: | CHLORIDE ION, CHOLESTEROL, Mu-type opioid receptor, ... | | 著者 | Manglik, A, Kruse, A.C, Kobilka, T.S, Thian, F.S, Mathiesen, J.M, Sunahara, R.K, Pardo, L, Weis, W.I, Kobilka, B.K, Granier, S. | | 登録日 | 2012-02-03 | | 公開日 | 2012-03-21 | | 最終更新日 | 2024-11-27 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal structure of the {mu}-opioid receptor bound to a morphinan antagonist.
Nature, 485, 2012
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8SMV
 | | GPR161 Gs heterotrimer | | 分子名称: | CHOLESTEROL, G-protein coupled receptor 161, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Hoppe, N, Manglik, A, Harrison, S. | | 登録日 | 2023-04-26 | | 公開日 | 2024-02-21 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (2.74 Å) | | 主引用文献 | GPR161 structure uncovers the redundant role of sterol-regulated ciliary cAMP signaling in the Hedgehog pathway.
Nat.Struct.Mol.Biol., 31, 2024
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8QOT
 | | 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 | | 最終更新日 | 2025-01-29 | | 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.
Nat Commun, 15, 2024
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5JQH
 | | Structure of beta2 adrenoceptor bound to carazolol and inactive-state stabilizing nanobody, Nb60 | | 分子名称: | (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, CHOLESTEROL, Endolysin,Beta-2 adrenergic receptor, ... | | 著者 | Staus, D.P, Strachan, R.T, Manglik, A, Pani, B, Kahsai, A.W, Kim, T.H, Wingler, L.M, Ahn, S, Chatterjee, A, Masoudi, A, Kruse, A.C, Pardon, E, Steyaert, J, Weis, W.I, Prosser, R.S, Kobilka, B.K, Costa, T, Lefkowitz, R.J. | | 登録日 | 2016-05-05 | | 公開日 | 2016-07-13 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Allosteric nanobodies reveal the dynamic range and diverse mechanisms of G-protein-coupled receptor activation.
Nature, 535, 2016
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7UTZ
 | | Human thyrotropin analog TR1402 bound to human Thyrotropin receptor in complex with miniGs399 (composite structure) | | 分子名称: | (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein hormones alpha chain analog TR1402, ... | | 著者 | Faust, B, Cheng, Y, Manglik, A. | | 登録日 | 2022-04-28 | | 公開日 | 2022-08-03 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (2.4 Å) | | 主引用文献 | Autoantibody mimicry of hormone action at the thyrotropin receptor.
Nature, 609, 2022
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9MQI
 | | Inactive Mu-Opioid Receptor with Nb6M, NabFab, and isoquinuclidine compound #020_E1 | | 分子名称: | Mu-type opioid receptor, NabFab Heavy Chain, NabFab Light Chain, ... | | 著者 | Kim, J.Y, Vigneron, S.F, Billesbolle, C, Manglik, A, Shoichet, B.K. | | 登録日 | 2025-01-03 | | 公開日 | 2025-02-12 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Docking 14 million virtual isoquinuclidines against the mu and kappa opioid receptors reveals dual antagonists-inverse agonists with reduced withdrawal effects.
Biorxiv, 2025
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9MQL
 | | Locally-Refined Inactive Kappa-Opioid Receptor with Nb6M, NabFab, and isoquinuclidine compound #020_E1 | | 分子名称: | Kappa-Opioid Receptor, methyl (1S,3R,4S,6S,8M)-2-[(1-ethyl-1H-pyrazol-4-yl)methyl]-8-(3-hydroxyphenyl)-3,4-dimethyl-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate | | 著者 | Kim, J.Y, Vigneron, S.F, Billesbolle, C, Manglik, A, Shoichet, B.K. | | 登録日 | 2025-01-03 | | 公開日 | 2025-02-12 | | 最終更新日 | 2025-03-12 | | 実験手法 | ELECTRON MICROSCOPY (2.96 Å) | | 主引用文献 | Docking 14 million virtual isoquinuclidines against the mu and kappa opioid receptors reveals dual antagonists-inverse agonists with reduced withdrawal effects.
Biorxiv, 2025
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9MQK
 | | Inactive Kappa-Opioid Receptor with Nb6M, NabFab, and isoquinuclidine compound #020_E1 | | 分子名称: | Kappa-Opioid Receptor, NabFab Heavy Chain, NabFab Light Chain, ... | | 著者 | Kim, J.Y, Vigneron, S.F, Billesbolle, C, Manglik, A, Shoichet, B.K. | | 登録日 | 2025-01-03 | | 公開日 | 2025-02-12 | | 最終更新日 | 2025-03-12 | | 実験手法 | ELECTRON MICROSCOPY (3.18 Å) | | 主引用文献 | Docking 14 million virtual isoquinuclidines against the mu and kappa opioid receptors reveals dual antagonists-inverse agonists with reduced withdrawal effects.
Biorxiv, 2025
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9MQJ
 | | Locally-refined Inactive Mu-Opioid Receptor with Nb6M, NabFab, and isoquinuclidine compound #020_E1 | | 分子名称: | Mu-type opioid receptor, methyl (1S,3R,4S,6S,8M)-2-[(1-ethyl-1H-pyrazol-4-yl)methyl]-8-(3-hydroxyphenyl)-3,4-dimethyl-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate | | 著者 | Kim, J.Y, Vigneron, S.F, Billesbolle, C, Manglik, A, Shoichet, B.K. | | 登録日 | 2025-01-03 | | 公開日 | 2025-02-12 | | 実験手法 | ELECTRON MICROSCOPY (3.23 Å) | | 主引用文献 | Docking 14 million virtual isoquinuclidines against the mu and kappa opioid receptors reveals dual antagonists-inverse agonists with reduced withdrawal effects.
Biorxiv, 2025
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9MQH
 | | Inactive Mu-Opioid Receptor with Nb6M, NabFab, and isoquinuclidine compound #33 | | 分子名称: | Mu-type opioid receptor | | 著者 | Kim, J.Y, Vigneron, S.F, Billesbolle, C, Manglik, A, Shoichet, B.K. | | 登録日 | 2025-01-03 | | 公開日 | 2025-02-12 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Docking 14 million virtual isoquinuclidines against the mu and kappa opioid receptors reveals dual antagonists-inverse agonists with reduced withdrawal effects.
Biorxiv, 2025
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8F76
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8V8K
 | | Crystal Structure of Nanobody NbE | | 分子名称: | Nanobody NbE | | 著者 | Koehl, A, Manglik, A, Yu, J, Kumar, A, Zhang, X, Martin, C, Raia, P, Steyaert, J, Ballet, S, Boland, A, Stoeber, M. | | 登録日 | 2023-12-05 | | 公開日 | 2024-09-11 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Structural basis of mu-opioid receptor targeting by a nanobody antagonist.
Nat Commun, 15, 2024
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4JQI
 | | Structure of active beta-arrestin1 bound to a G protein-coupled receptor phosphopeptide | | 分子名称: | 1,2-ETHANEDIOL, Beta-arrestin-1, CHLORIDE ION, ... | | 著者 | Shukla, A.K, Manglik, A, Kruse, A.C, Xiao, K, Reis, R.I, Tseng, W.C, Staus, D.P, Hilger, D, Uysal, S, Huang, L.H, Paduch, M, Shukla, P.T, Koide, A, Koide, S, Weis, W.I, Kossiakoff, A.A, Kobilka, B.K, Lefkowitz, R.J. | | 登録日 | 2013-03-20 | | 公開日 | 2013-04-17 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure of active beta-arrestin-1 bound to a G-protein-coupled receptor phosphopeptide.
Nature, 497, 2013
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6O3C
 | | Crystal structure of active Smoothened bound to SAG21k, cholesterol, and NbSmo8 | | 分子名称: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-chloro-4,7-difluoro-N-{[2-methoxy-5-(pyridin-4-yl)phenyl]methyl}-N-[trans-4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide, ... | | 著者 | Deshpande, I.S, Liang, J, Hedeen, D, Roberts, K.J, Zhang, Y, Ha, B, Latorraca, N.R, Faust, B, Dror, R.O, Beachy, P.A, Myers, B.R, Manglik, A. | | 登録日 | 2019-02-26 | | 公開日 | 2019-07-03 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Smoothened stimulation by membrane sterols drives Hedgehog pathway activity.
Nature, 571, 2019
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4LDO
 | | Structure of beta2 adrenoceptor bound to adrenaline and an engineered nanobody | | 分子名称: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, Camelid Antibody Fragment, L-EPINEPHRINE, ... | | 著者 | Ring, A.M, Manglik, A, Kruse, A.C, Enos, M.D, Weis, W.I, Garcia, K.C, Kobilka, B.K. | | 登録日 | 2013-06-24 | | 公開日 | 2013-09-25 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Adrenaline-activated structure of beta 2-adrenoceptor stabilized by an engineered nanobody.
Nature, 502, 2013
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4LDE
 | | Structure of beta2 adrenoceptor bound to BI167107 and an engineered nanobody | | 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 | Ring, A.M, Manglik, A, Kruse, A.C, Enos, M.D, Weis, W.I, Garcia, K.C, Kobilka, B.K. | | 登録日 | 2013-06-24 | | 公開日 | 2013-09-25 | | 最終更新日 | 2024-11-27 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | Adrenaline-activated structure of beta 2-adrenoceptor stabilized by an engineered nanobody.
Nature, 502, 2013
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4LDL
 | | Structure of beta2 adrenoceptor bound to hydroxybenzylisoproterenol and an engineered nanobody | | 分子名称: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 4-[(1R)-1-hydroxy-2-{[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]amino}ethyl]benzene-1,2-diol, Camelid Antibody Fragment, ... | | 著者 | Ring, A.M, Manglik, A, Kruse, A.C, Enos, M.D, Weis, W.I, Garcia, K.C, Kobilka, B.K. | | 登録日 | 2013-06-24 | | 公開日 | 2013-09-25 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Adrenaline-activated structure of beta 2-adrenoceptor stabilized by an engineered nanobody.
Nature, 502, 2013
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8CXO
 | | Cryo-EM structure of the unliganded mSMO-PGS2 in a lipidic environment | | 分子名称: | CHOLESTEROL, Smoothened homolog, GlgA glycogen synthase chimera | | 著者 | Zhang, K, Wu, H, Hoppe, N, Manglik, A, Cheng, Y. | | 登録日 | 2022-05-22 | | 公開日 | 2022-08-03 | | 最終更新日 | 2024-10-09 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Fusion protein strategies for cryo-EM study of G protein-coupled receptors.
Nat Commun, 13, 2022
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7RMG
 | | Substance P bound to active human neurokinin 1 receptor in complex with miniGs/q70 | | 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 | Harris, J.A, Faust, B, Gondin, A.B, Daemgen, M.A, Suomivuori, C.M, Veldhuis, N.A, Cheng, Y, Dror, R.O, Thal, D, Manglik, A. | | 登録日 | 2021-07-27 | | 公開日 | 2021-11-03 | | 最終更新日 | 2024-11-06 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Selective G protein signaling driven by substance P-neurokinin receptor dynamics.
Nat.Chem.Biol., 18, 2022
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7RMI
 | | SP6-11 biased agonist bound to active human neurokinin 1 receptor in complex with miniGs/q70 | | 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 | Harris, J.A, Faust, B, Gondin, A.B, Daemgen, M.A, Suomivuori, C.M, Veldhuis, N.A, Cheng, Y, Dror, R.O, Thal, D, Manglik, A. | | 登録日 | 2021-07-27 | | 公開日 | 2021-11-03 | | 最終更新日 | 2024-11-13 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Selective G protein signaling driven by substance P-neurokinin receptor dynamics.
Nat.Chem.Biol., 18, 2022
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7RMH
 | | Substance P bound to active human neurokinin 1 receptor in complex with miniGs399 | | 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 | Harris, J.A, Faust, B, Gondin, A.B, Daemgen, M.A, Suomivuori, C.M, Veldhuis, N.A, Cheng, Y, Dror, R.O, Thal, D, Manglik, A. | | 登録日 | 2021-07-27 | | 公開日 | 2021-11-03 | | 最終更新日 | 2024-11-20 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Selective G protein signaling driven by substance P-neurokinin receptor dynamics.
Nat.Chem.Biol., 18, 2022
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5C1M
 | | Crystal structure of active mu-opioid receptor bound to the agonist 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 | Huang, W.J, Manglik, A, Venkatakrishnan, A.J, Laeremans, T, Feinberg, E.N, Sanborn, A.L, Kato, H.E, Livingston, K.E, Thorsen, T.S, Kling, R, Granier, S, Gmeiner, P, Husbands, S.M, Traynor, J.R, Weis, W.I, Steyaert, J, Dror, R.O, Kobilka, B.K. | | 登録日 | 2015-06-15 | | 公開日 | 2015-08-05 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Structural insights into mu-opioid receptor activation.
Nature, 524, 2015
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5HK1
 | | Human sigma-1 receptor bound to PD144418 | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-(4-methylphenyl)-5-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole, SULFATE ION, ... | | 著者 | Schmidt, H.R, Zheng, S, Gurpinar, E, Koehl, A, Manglik, A, Kruse, A.C. | | 登録日 | 2016-01-13 | | 公開日 | 2016-04-06 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.5051 Å) | | 主引用文献 | Crystal structure of the human sigma 1 receptor.
Nature, 532, 2016
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5HK2
 | | Human sigma-1 receptor bound to 4-IBP | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, N-(1-benzylpiperidin-4-yl)-4-iodobenzamide, SULFATE ION, ... | | 著者 | Schmidt, H.R, Zheng, S, Gurpinar, E.G, Koehl, A, Manglik, A, Kruse, A.C. | | 登録日 | 2016-01-13 | | 公開日 | 2016-04-06 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Crystal structure of the human sigma 1 receptor.
Nature, 532, 2016
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7TXT
 | | Structure of human serotonin transporter bound to small molecule '8090 in lipid nanodisc and NaCl | | 分子名称: | 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine, 15B8 Fab heavy chain, 15B8 Fab light chain, ... | | 著者 | Singh, I, Seth, A, Billesboelle, C.B, Braz, J, Rodriguiz, R.M, Roy, K, Bekele, B, Craik, V, Huang, X.P, Boytsov, D, Lak, P, O'Donnell, H, Sandtner, W, Roth, B.L, Basbaum, A.I, Wetsel, W.C, Manglik, A, Shoichet, B.K, Rudnick, G. | | 登録日 | 2022-02-09 | | 公開日 | 2023-03-15 | | 最終更新日 | 2024-11-06 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structure-based discovery of conformationally selective inhibitors of the serotonin transporter.
Cell, 186, 2023
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