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4WW3
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BU of 4ww3 by Molmil
Crystal structure of the lumi intermediate of squid rhodopsin
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, DOCOSANE, PALMITIC ACID, ...
Authors:Murakami, M, Kouyama, T.
Deposit date:2014-11-10
Release date:2015-06-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystallographic Study of the LUMI Intermediate of Squid Rhodopsin
Plos One, 10, 2015
3KJ6
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BU of 3kj6 by Molmil
Crystal structure of a Methylated beta2 Adrenergic Receptor-Fab complex
Descriptor: Beta-2 adrenergic receptor, Fab heavy chain, Fab light chain, ...
Authors:Bokoch, M.P, Zou, Y, Rasmussen, S.G.F, Liu, C.W, Nygaard, R, Rosenbaum, D.M, Fung, J.J, Choi, H.-J, Thian, F.S, Kobilka, T.S, Puglisi, J.D, Weis, W.I, Pardo, L, Prosser, S, Mueller, L, Kobilka, B.K.
Deposit date:2009-11-02
Release date:2010-02-16
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Ligand-specific regulation of the extracellular surface of a G-protein-coupled receptor.
Nature, 463, 2010
2LNL
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BU of 2lnl by Molmil
Structure of human CXCR1 in phospholipid bilayers
Descriptor: C-X-C chemokine receptor type 1
Authors:Park, S, Das, B.B, Casagrande, F, Nothnagel, H, Chu, M, Kiefer, H, Maier, K, De Angelis, A, Marassi, F.M, Opella, S.J.
Deposit date:2011-12-31
Release date:2012-10-17
Last modified:2016-04-27
Method:SOLID-STATE NMR
Cite:Structure of the chemokine receptor CXCR1 in phospholipid bilayers.
Nature, 491, 2012
2R4S
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BU of 2r4s by Molmil
Crystal structure of the human beta2 adrenoceptor
Descriptor: Beta-2 adrenergic receptor, antibody for beta2 adrenoceptor, heavy chain, ...
Authors:Rasmussen, S.G.F, Choi, H.J, Rosenbaum, D.M, Kobilka, T.S, Thian, F.S, Edwards, P.C, Burghammer, M, Ratnala, V.R, Sanishvili, R, Fischetti, R.F, Schertler, G.F, Weis, W.I, Kobilka, B.K.
Deposit date:2007-08-31
Release date:2007-11-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Crystal structure of the human beta2 adrenergic G-protein-coupled receptor.
Nature, 450, 2007
2R4R
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BU of 2r4r by Molmil
Crystal structure of the human beta2 adrenoceptor
Descriptor: Beta-2 adrenergic receptor, antibody for beta2 adrenoceptor, heavy chain, ...
Authors:Rasmussen, S.G.F, Choi, H.J, Rosenbaum, D.M, Kobilka, T.S, Thian, F.S, Edwards, P.C, Burghammer, M, Ratnala, V.R, Sanishvili, R, Fischetti, R.F, Schertler, G.F, Weis, W.I, Kobilka, B.K.
Deposit date:2007-08-31
Release date:2007-11-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Crystal structure of the human beta2 adrenergic G-protein-coupled receptor.
Nature, 450, 2007
4GPO
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BU of 4gpo by Molmil
Oligomeic Turkey Beta1-Adrenergic G Protein-Coupled Receptor
Descriptor: Beta-1 adrenergic receptor
Authors:Huang, J.J, Chen, S, Zhang, J.J, Huang, X.Y.
Deposit date:2012-08-21
Release date:2013-02-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal structure of oligomeric beta-1-adrenergic G protein-coupled receptors in ligand-free basal state.
Nat.Struct.Mol.Biol., 20, 2013
6Z10
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BU of 6z10 by Molmil
Crystal structure of a humanized (K18E, K269N) rat succinate receptor SUCNR1 (GPR91) in complex with a nanobody and antagonist
Descriptor: (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, ...
Authors:Haffke, M, Villard, F.
Deposit date:2020-05-11
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.269 Å)
Cite: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
5O9H
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BU of 5o9h by Molmil
Crystal structure of thermostabilised human C5a anaphylatoxin chemotactic receptor 1 (C5aR) in complex with NDT9513727
Descriptor: 1-(1,3-benzodioxol-5-yl)-~{N}-(1,3-benzodioxol-5-ylmethyl)-~{N}-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]methanamine, C5a anaphylatoxin chemotactic receptor 1, CITRIC ACID, ...
Authors:Robertson, N, Rappas, M, Dore, A.S, Brown, J, Bottegoni, G, Koglin, M, Cansfield, J, Jazayeri, A, Cooke, R.M, Marshall, F.H.
Deposit date:2017-06-19
Release date:2018-01-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of the complement C5a receptor bound to the extra-helical antagonist NDT9513727.
Nature, 553, 2018
4UG2
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Thermostabilised HUMAN A2a Receptor with CGS21680 bound
Descriptor: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[P-(2-CARBOXYETHYL)PHENYLETHYL-AMINO]-5'-N-ETHYLCARBOXAMIDO ADENOSINE, THERMOSTABILISED HUMAN A2A RECEPTOR
Authors:Lebon, G, Edwards, P.C, Leslie, A.G.W, Tate, C.G.
Deposit date:2015-03-21
Release date:2015-04-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular Determinants of Cgs21680 Binding to the Human Adenosine A2A Receptor.
Mol.Pharmacol., 87, 2015
4UHR
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BU of 4uhr by Molmil
Thermostabilised HUMAN A2a Receptor with CGS21680 bound
Descriptor: 2-[P-(2-CARBOXYETHYL)PHENYLETHYL-AMINO]-5'-N-ETHYLCARBOXAMIDO ADENOSINE, THERMOSTABILISED HUMAN A2A RECEPTOR
Authors:Lebon, G, Edwards, P.C, Leslie, A.G.W, Tate, C.G.
Deposit date:2015-03-25
Release date:2015-04-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular Determinants of Cgs21680 Binding to the Human Adenosine A2A Receptor.
Mol.Pharmacol., 87, 2015
3RFM
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BU of 3rfm by Molmil
Thermostabilised adenosine A2A receptor in complex with caffeine
Descriptor: Adenosine receptor A2a, CAFFEINE
Authors:Dore, A.S, Robertson, N, Errey, J.C, Ng, I, Hollenstein, K, Tehan, B, Hurrell, E, Bennett, K, Congreve, M, Magnani, F, Tate, C.G, Weir, M, Marshall, F.H.
Deposit date:2011-04-06
Release date:2011-09-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.598 Å)
Cite:Structure of the adenosine A(2A) receptor in complex with ZM241385 and the xanthines XAC and caffeine
Structure, 19, 2011
3REY
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BU of 3rey by Molmil
Thermostabilised adenosine A2A receptor in complex with XAC
Descriptor: Adenosine receptor A2a, N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy]acetamide
Authors:Dore, A.S, Robertson, N, Errey, J.C, Ng, I, Hollenstein, K, Tehan, B, Hurrell, E, Bennett, K, Congreve, M, Magnani, F, Tate, C.G, Weir, M, Marshall, F.H.
Deposit date:2011-04-05
Release date:2011-09-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.309 Å)
Cite:Structure of the adenosine A(2A) receptor in complex with ZM241385 and the xanthines XAC and caffeine
Structure, 19, 2011
5C1M
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BU of 5c1m by Molmil
Crystal structure of active mu-opioid receptor bound to the agonist BU72
Descriptor: (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, ...
Authors: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.
Deposit date:2015-06-15
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural insights into mu-opioid receptor activation.
Nature, 524, 2015
4MQS
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BU of 4mqs by Molmil
Structure of active human M2 muscarinic acetylcholine receptor bound to the agonist iperoxo
Descriptor: 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, Muscarinic acetylcholine receptor M2, Nanobody 9-8
Authors:Kruse, A.C, Ring, A.M, Manglik, A, Hu, J, Hu, K, Eitel, K, Huebner, H, Pardon, E, Valant, C, Sexton, P.M, Christopoulos, A, Felder, C.C, Gmeiner, P, Steyaert, J, Weis, W.I, Garcia, K.C, Wess, J, Kobilka, B.K.
Deposit date:2013-09-16
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Activation and allosteric modulation of a muscarinic acetylcholine receptor.
Nature, 504, 2013
4MQT
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BU of 4mqt by Molmil
Structure of active human M2 muscarinic acetylcholine receptor bound to the agonist iperoxo and allosteric modulator LY2119620
Descriptor: 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, Muscarinic acetylcholine receptor M2, ...
Authors:Kruse, A.C, Ring, A.M, Manglik, A, Hu, J, Hu, K, Eitel, K, Huebner, H, Pardon, E, Valant, C, Sexton, P.M, Christopoulos, A, Felder, C.C, Gmeiner, P, Steyaert, J, Weis, W.I, Garcia, K.C, Wess, J, Kobilka, B.K.
Deposit date:2013-09-16
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Activation and allosteric modulation of a muscarinic acetylcholine receptor.
Nature, 504, 2013
3UZA
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BU of 3uza by Molmil
Thermostabilised Adenosine A2A receptor in complex with 6-(2,6-Dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine
Descriptor: 6-(2,6-dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine, Adenosine receptor A2a
Authors:Congreve, M, Andrews, S.P, Dore, A.S, Hollenstein, K, Hurrell, E, Langmead, C.J, Mason, J.S, Ng, I.W, Tehan, B, Zhukov, A, Weir, M, Marshall, F.H.
Deposit date:2011-12-07
Release date:2012-03-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.273 Å)
Cite:Discovery of 1,2,4-Triazine Derivatives as Adenosine A(2A) Antagonists using Structure Based Drug Design
J.Med.Chem., 55, 2012
3UZC
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BU of 3uzc by Molmil
Thermostabilised Adenosine A2A receptor in complex with 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol
Descriptor: 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol, Adenosine A2A Receptor
Authors:Congreve, M, Andrews, S.P, Dore, A.S, Hollenstein, K, Hurrell, E, Langmead, C.J, Mason, J.S, Ng, I.W, Zhukov, A, Weir, M, Marshall, F.H.
Deposit date:2011-12-07
Release date:2012-03-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.341 Å)
Cite:Discovery of 1,2,4-Triazine Derivatives as Adenosine A(2A) Antagonists using Structure Based Drug Design
J.Med.Chem., 55, 2012
3VG9
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BU of 3vg9 by Molmil
Crystal structure of human adenosine A2A receptor with an allosteric inverse-agonist antibody at 2.7 A resolution
Descriptor: 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Hino, T, Arakawa, T, Iwanari, H, Yurugi-Kobayashi, T, Ikeda-Suno, C, Nakada-Nakura, Y, Kusano-Arai, O, Weyand, S, Shimamura, T, Nomura, N, Cameron, A.D, Kobayashi, T, Hamakubo, T, Iwata, S, Murata, T.
Deposit date:2011-08-04
Release date:2012-02-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:G-protein-coupled receptor inactivation by an allosteric inverse-agonist antibody
Nature, 482, 2012
3VGA
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BU of 3vga by Molmil
Crystal structure of human adenosine A2A receptor with an allosteric inverse-agonist antibody at 3.1 A resolution
Descriptor: 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a, antibody fab fragment heavy chain, ...
Authors:Hino, T, Arakawa, T, Iwanari, H, Yurugi-Kobayashi, T, Ikeda-Suno, C, Nakada-Nakura, Y, Kusano-Arai, O, Weyand, S, Shimamura, T, Nomura, N, Cameron, A.D, Kobayashi, T, Hamakubo, T, Iwata, S, Murata, T.
Deposit date:2011-08-04
Release date:2012-02-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:G-protein-coupled receptor inactivation by an allosteric inverse-agonist antibody
Nature, 482, 2012
5F8U
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BU of 5f8u by Molmil
Ligand occupancy in crystal structure of beta1-adrenergic receptor previously submitted by Huang et al
Descriptor: 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile, Beta-1 adrenergic receptor
Authors:Leslie, A.G.W, Warne, A, Tate, C.G.
Deposit date:2015-12-09
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Ligand occupancy in crystal structure of Beta1 adrenergic G protein coupled receptor
Nat.Struct.Mol.Biol., 22, 2015
3ZEV
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BU of 3zev by Molmil
Structure of Thermostable Agonist-bound Neurotensin Receptor 1 Mutant without Lysozyme Fusion
Descriptor: GLYCINE, NEUROTENSIN, NEUROTENSIN RECEPTOR 1 TM86V
Authors:Egloff, P, Hillenbrand, M, Schlinkmann, K.M, Batyuk, A, Mittl, P, Plueckthun, A.
Deposit date:2012-12-07
Release date:2014-01-29
Last modified:2014-02-26
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of Signaling-Competent Neurotensin Receptor 1 Obtained by Directed Evolution in Escherichia Coli
Proc.Natl.Acad.Sci.USA, 111, 2014
2VT4
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BU of 2vt4 by Molmil
TURKEY BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND CYANOPINDOLOL
Descriptor: 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile, BETA1 ADRENERGIC RECEPTOR, DECANE, ...
Authors:Warne, A, Serrano-Vega, M.J, Baker, J.G, Moukhametzianov, R, Edwards, P.C, Henderson, R, Leslie, A.G.W, Tate, C.G, Schertler, G.F.X.
Deposit date:2008-05-09
Release date:2008-06-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of a Beta1-Adrenergic G-Protein-Coupled Receptor.
Nature, 454, 2008
5LWE
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BU of 5lwe by Molmil
Crystal structure of the human CC chemokine receptor type 9 (CCR9) in complex with vercirnon
Descriptor: C-C chemokine receptor type 9, CHOLESTEROL, MALONATE ION, ...
Authors:Oswald, C, Rappas, M, Kean, J, Dore, A.S, Errey, J.C, Bennett, K, Deflorian, F, Christopher, J.A, Jazayeri, A, Mason, J.S, Congreve, M, Cooke, R.M, Marshall, F.H.
Deposit date:2016-09-16
Release date:2016-12-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Intracellular allosteric antagonism of the CCR9 receptor.
Nature, 540, 2016
2Y04
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BU of 2y04 by Molmil
TURKEY BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND PARTIAL AGONIST SALBUTAMOL
Descriptor: BETA-1 ADRENERGIC RECEPTOR, CHOLESTEROL HEMISUCCINATE, HEGA-10, ...
Authors:Warne, A, Moukhametzianov, R, Baker, J.G, Nehme, R, Edwards, P.C, Leslie, A.G.W, Schertler, G.F.X, Tate, C.G.
Deposit date:2010-11-30
Release date:2011-01-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:The Structural Basis for Agonist and Partial Agonist Action on a Beta1-Adrenergic Receptor
Nature, 469, 2011
2Y03
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BU of 2y03 by Molmil
TURKEY BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND AGONIST ISOPRENALINE
Descriptor: BETA-1 ADRENERGIC RECEPTOR, CHOLESTEROL HEMISUCCINATE, HEGA-10, ...
Authors:Warne, A, Moukhametzianov, R, Baker, J.G, Nehme, R, Edwards, P.C, Leslie, A.G.W, Schertler, G.F.X, Tate, C.G.
Deposit date:2010-11-30
Release date:2011-01-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:The Structural Basis for Agonist and Partial Agonist Action on a Beta1-Adrenergic Receptor
Nature, 469, 2011

217705

數據於2024-03-27公開中

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