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PDB: 70 results

7T83
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BU of 7t83 by Molmil
Structure of angiotensin II type I receptor (AT1R) nanobody antagonist AT118i4h32
Descriptor: CITRATE ANION, Nanobody AT118i4h32
Authors:Skiba, M.A, Kruse, A.C.
Deposit date:2021-12-15
Release date:2022-12-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An in silico method to assess antibody fragment polyreactivity.
Nat Commun, 13, 2022
4QKX
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BU of 4qkx by Molmil
Structure of beta2 adrenoceptor bound to a covalent agonist and an engineered nanobody
Descriptor: 4-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethyl}amino)ethyl]benzene-1,2-diol, Beta-2 adrenergic receptor, R9 protein, ...
Authors:Weichert, D, Kruse, A.C, Manglik, A, Hiller, C, Zhang, C, Huebner, H, Kobilka, B.K, Gmeiner, P.
Deposit date:2014-06-10
Release date:2014-07-23
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Covalent agonists for studying G protein-coupled receptor activation.
Proc.Natl.Acad.Sci.USA, 111, 2014
3UON
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BU of 3uon by Molmil
Structure of the human M2 muscarinic acetylcholine receptor bound to an antagonist
Descriptor: (3R)-1-azabicyclo[2.2.2]oct-3-yl hydroxy(diphenyl)acetate, CHLORIDE ION, Human M2 muscarinic acetylcholine, ...
Authors:Haga, K, Kruse, A.C, Asada, H, Yurugi-Kobayashi, T, Shiroishi, M, Zhang, C, Weis, W.I, Okada, T, Kobilka, B.K, Haga, T, Kobayashi, T.
Deposit date:2011-11-16
Release date:2012-02-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the human M2 muscarinic acetylcholine receptor bound to an antagonist.
Nature, 482, 2012
4EJ4
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BU of 4ej4 by Molmil
Structure of the delta opioid receptor bound to naltrindole
Descriptor: (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol, Delta-type opioid receptor, Lysozyme chimera
Authors:Granier, S, Manglik, A, Kruse, A.C, Kobilka, T.S, Thian, F.S, Weis, W.I, Kobilka, B.K.
Deposit date:2012-04-06
Release date:2012-05-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure of the delta opioid receptor bound to naltrindole
Nature, 485, 2012
4LDO
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BU of 4ldo by Molmil
Structure of beta2 adrenoceptor bound to adrenaline and an engineered nanobody
Descriptor: (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, Camelid Antibody Fragment, L-EPINEPHRINE, ...
Authors:Ring, A.M, Manglik, A, Kruse, A.C, Enos, M.D, Weis, W.I, Garcia, K.C, Kobilka, B.K.
Deposit date:2013-06-24
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Adrenaline-activated structure of beta 2-adrenoceptor stabilized by an engineered nanobody.
Nature, 502, 2013
4LDE
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BU of 4lde by Molmil
Structure of beta2 adrenoceptor bound to BI167107 and an engineered nanobody
Descriptor: (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, ...
Authors:Ring, A.M, Manglik, A, Kruse, A.C, Enos, M.D, Weis, W.I, Garcia, K.C, Kobilka, B.K.
Deposit date:2013-06-24
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Adrenaline-activated structure of beta 2-adrenoceptor stabilized by an engineered nanobody.
Nature, 502, 2013
4JQI
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BU of 4jqi by Molmil
Structure of active beta-arrestin1 bound to a G protein-coupled receptor phosphopeptide
Descriptor: 1,2-ETHANEDIOL, Beta-arrestin-1, CHLORIDE ION, ...
Authors: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.
Deposit date:2013-03-20
Release date:2013-04-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of active beta-arrestin-1 bound to a G-protein-coupled receptor phosphopeptide.
Nature, 497, 2013
4LDL
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BU of 4ldl by Molmil
Structure of beta2 adrenoceptor bound to hydroxybenzylisoproterenol and an engineered nanobody
Descriptor: (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, ...
Authors:Ring, A.M, Manglik, A, Kruse, A.C, Enos, M.D, Weis, W.I, Garcia, K.C, Kobilka, B.K.
Deposit date:2013-06-24
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Adrenaline-activated structure of beta 2-adrenoceptor stabilized by an engineered nanobody.
Nature, 502, 2013
5HK2
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BU of 5hk2 by Molmil
Human sigma-1 receptor bound to 4-IBP
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, N-(1-benzylpiperidin-4-yl)-4-iodobenzamide, SULFATE ION, ...
Authors:Schmidt, H.R, Zheng, S, Gurpinar, E.G, Koehl, A, Manglik, A, Kruse, A.C.
Deposit date:2016-01-13
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of the human sigma 1 receptor.
Nature, 532, 2016
5HK1
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BU of 5hk1 by Molmil
Human sigma-1 receptor bound to PD144418
Descriptor: (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, ...
Authors:Schmidt, H.R, Zheng, S, Gurpinar, E, Koehl, A, Manglik, A, Kruse, A.C.
Deposit date:2016-01-13
Release date:2016-04-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5051 Å)
Cite:Crystal structure of the human sigma 1 receptor.
Nature, 532, 2016
3SN6
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BU of 3sn6 by Molmil
Crystal structure of the beta2 adrenergic receptor-Gs protein complex
Descriptor: 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Camelid antibody VHH fragment, Endolysin,Beta-2 adrenergic receptor, ...
Authors:Rasmussen, S.G.F, DeVree, B.T, Zou, Y, Kruse, A.C, Chung, K.Y, Kobilka, T.S, Thian, F.S, Chae, P.S, Pardon, E, Calinski, D, Mathiesen, J.M, Shah, S.T.A, Lyons, J.A, Caffrey, M, Gellman, S.H, Steyaert, J, Skiniotis, G, Weis, W.I, Sunahara, R.K, Kobilka, B.K.
Deposit date:2011-06-28
Release date:2011-07-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of the beta2 adrenergic receptor-Gs protein complex
Nature, 477, 2011
6BAR
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BU of 6bar by Molmil
Crystal structure of Thermus thermophilus Rod shape determining protein RodA (Q5SIX3_THET8)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Rod shape determining protein RodA
Authors:Sjodt, M, Brock, K, Dobihal, G, Rohs, P.D.A, Green, A.G, Hopf, T.A, Meeske, A.J, Marks, D.S, Bernhardt, T.G, Rudner, D.Z, Kruse, A.C.
Deposit date:2017-10-15
Release date:2018-03-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.908 Å)
Cite:Structure of the peptidoglycan polymerase RodA resolved by evolutionary coupling analysis.
Nature, 556, 2018
6BAS
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BU of 6bas by Molmil
Crystal structure of Thermus thermophilus Rod shape determining protein RodA D255A mutant (Q5SIX3_THET8)
Descriptor: CHLORIDE ION, Peptidoglycan glycosyltransferase RodA
Authors:Sjodt, M, Brock, K, Dobihal, G, Rohs, P.D.A, Green, A.G, Hopf, T.A, Meeske, A.J, Marks, D.S, Bernhardt, T.G, Rudner, D.Z, Kruse, A.C.
Deposit date:2017-10-15
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.194 Å)
Cite:Structure of the peptidoglycan polymerase RodA resolved by evolutionary coupling analysis.
Nature, 556, 2018
6CC4
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BU of 6cc4 by Molmil
Structure of MurJ from Escherichia coli
Descriptor: PHOSPHATE ION, soluble cytochrome b562, lipid II flippase MurJ chimera
Authors:Zheng, S, Kruse, A.C.
Deposit date:2018-02-05
Release date:2018-06-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure and mutagenic analysis of the lipid II flippase MurJ fromEscherichia coli.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6D35
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BU of 6d35 by Molmil
Crystal structure of Xenopus Smoothened in complex with cholesterol
Descriptor: CHOLESTEROL, Smoothened,Soluble cytochrome b562,Smoothened
Authors:Huang, P, Zheng, S, Kim, Y, Kruse, A.C, Salic, A.
Deposit date:2018-04-14
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Structural Basis of Smoothened Activation in Hedgehog Signaling.
Cell, 174, 2018
6D32
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BU of 6d32 by Molmil
Crystal structure of Xenopus Smoothened in complex with cyclopamine
Descriptor: Cyclopamine, Smoothened,Soluble cytochrome b562,Smoothened
Authors:Huang, P, Zheng, S, Kim, Y, Kruse, A.C, Salic, A.
Deposit date:2018-04-14
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.751 Å)
Cite:Structural Basis of Smoothened Activation in Hedgehog Signaling.
Cell, 174, 2018
6DK1
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BU of 6dk1 by Molmil
Human sigma-1 receptor bound to (+)-pentazocine
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,6S,11S)-6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol, GLYCEROL, ...
Authors:Schmidt, H.R, Kruse, A.C.
Deposit date:2018-05-28
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Structural basis for sigma1receptor ligand recognition.
Nat. Struct. Mol. Biol., 25, 2018
6DO1
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BU of 6do1 by Molmil
Structure of nanobody-stabilized angiotensin II type 1 receptor bound to S1I8
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-like peptide S1I8, ...
Authors:Wingler, L.M, McMahon, C, Staus, D.P, Lefkowitz, R.J, Kruse, A.C.
Deposit date:2018-06-08
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Distinctive Activation Mechanism for Angiotensin Receptor Revealed by a Synthetic Nanobody.
Cell, 176, 2019
6DK0
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BU of 6dk0 by Molmil
Human sigma-1 receptor bound to NE-100
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, GLYCEROL, N-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine, ...
Authors:Schmidt, H.R, Kruse, A.C.
Deposit date:2018-05-28
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for sigma1receptor ligand recognition.
Nat. Struct. Mol. Biol., 25, 2018
6DJZ
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BU of 6djz by Molmil
Human sigma-1 receptor bound to haloperidol
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one, GLYCEROL, ...
Authors:Schmidt, H.R, Kruse, A.C.
Deposit date:2018-05-28
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.084 Å)
Cite:Structural basis for sigma1receptor ligand recognition.
Nat. Struct. Mol. Biol., 25, 2018
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