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9BJK
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Inactive mu opioid receptor bound to Nb6, naloxone and NAM
Descriptor: Mu-type opioid receptor, Naloxone, Nalpha-[({(1M)-1-[5-(benzyloxy)pyridin-3-yl]naphthalen-2-yl}sulfanyl)acetyl]-3-methoxy-N,4-dimethyl-L-phenylalaninamide, ...
Authors:O'Brien, E.S, Wang, H, Kaavya Krishna, K, Zhang, C, Kobilka, B.K.
Deposit date:2024-04-25
Release date:2024-07-17
Last modified:2025-05-21
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:A mu-opioid receptor modulator that works cooperatively with naloxone.
Nature, 631, 2024
2Y04
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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:2024-10-23
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
4AMJ
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Turkey beta1 adrenergic receptor with stabilising mutations and bound biased agonist carvedilol
Descriptor: (2S)-1-(8H-CARBAZOL-4-YLOXY)-3-[2-(2-METHOXYPHENOXY)ETHYLAMINO]PROPAN-2-OL, BETA-1 ADRENERGIC RECEPTOR, HEGA-10, ...
Authors:Warne, T, Edwards, P.C, Leslie, A.G, Tate, C.G.
Deposit date:2012-03-12
Release date:2012-05-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of a Stabilized Beta1-Adrenoceptor Bound to the Biased Agonists Bucindolol and Carvedilol
Structure, 20, 2012
2Y02
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BU of 2y02 by Molmil
TURKEY BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND AGONIST CARMOTEROL
Descriptor: BETA-1 ADRENERGIC RECEPTOR, CARMOTEROL, CHOLESTEROL HEMISUCCINATE, ...
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:2024-11-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Structural Basis for Agonist and Partial Agonist Action on a Beta1-Adrenergic Receptor
Nature, 469, 2011
2VT4
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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:2024-11-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of a Beta1-Adrenergic G-Protein-Coupled Receptor.
Nature, 454, 2008
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:2024-11-13
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
4AMI
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BU of 4ami by Molmil
Turkey beta1 adrenergic receptor with stabilising mutations and bound biased agonist bucindolol
Descriptor: 2-[(2S)-3-[[1-(1H-indol-3-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile, BETA-1 ADRENERGIC RECEPTOR, HEGA-10
Authors:Warne, T, Edwards, P.C, Leslie, A.G, Tate, C.G.
Deposit date:2012-03-11
Release date:2012-05-23
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal Structures of a Stabilized Beta1-Adrenoceptor Bound to the Biased Agonists Bucindolol and Carvedilol
Structure, 20, 2012
4BVN
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BU of 4bvn by Molmil
Ultra-thermostable beta1-adrenoceptor with cyanopindolol bound
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile, ...
Authors:Miller, J, Nehme, R, Warne, T, Edwards, P.C, Leslie, A.G.W, Schertler, G, Tate, C.G.
Deposit date:2013-06-26
Release date:2014-04-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The 2.1 A Resolution Structure of Cyanopindolol-Bound Beta1- Adrenoceptor Identifies an Intramembrane Na+ Ion that Stabilises the Ligand-Free Receptor.
Plos One, 9, 2014
3ZPQ
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BU of 3zpq by Molmil
Thermostabilised turkey beta1 adrenergic receptor with 4-(piperazin-1- yl)-1H-indole bound (compound 19)
Descriptor: 4-(PIPERAZIN-1-YL)-1H-INDOLE, BETA-1 ADRENERGIC RECEPTOR, CHOLESTEROL HEMISUCCINATE, ...
Authors:Christopher, J.A, Congreve, M, Dore, A.S, Marshall, F.H, Myszka, D.G, Brown, J, Koglin, M, Tehan, B, Errey, J.C, Tate, C.G, Warne, T.
Deposit date:2013-03-01
Release date:2013-04-03
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Biophysical Fragment Screening of the Beta1-Adrenergic Receptor: Identification of High Affinity Aryl Piperazine Leads Using Structure-Based Drug Design.
J.Med.Chem., 56, 2013
4BUO
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BU of 4buo by Molmil
High Resolution Structure of Thermostable Agonist-bound Neurotensin Receptor 1 Mutant without Lysozyme Fusion
Descriptor: GLYCINE, NEUROTENSIN RECEPTOR TYPE 1, NEUROTENSIN/NEUROMEDIN N
Authors:Egloff, P, Hillenbrand, M, Schlinkmann, K.M, Batyuk, A, Mittl, P, Plueckthun, A.
Deposit date:2013-06-21
Release date:2014-01-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure of Signaling-Competent Neurotensin Receptor 1 Obtained by Directed Evolution in Escherichia Coli
Proc.Natl.Acad.Sci.USA, 111, 2014
2YDV
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BU of 2ydv by Molmil
Thermostabilised HUMAN A2a Receptor with NECA bound
Descriptor: ADENOSINE RECEPTOR A2A, N-ETHYL-5'-CARBOXAMIDO ADENOSINE, octyl 1-thio-beta-D-glucopyranoside
Authors:Lebon, G, Warne, T, Edwards, P.C, Bennett, K, Langmead, C.J, Leslie, A.G.W, Tate, C.G.
Deposit date:2011-03-24
Release date:2011-05-18
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Agonist-Bound Adenosine A(2A) Receptor Structures Reveal Common Features of Gpcr Activation.
Nature, 474, 2011
2YCY
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BU of 2ycy by Molmil
TURKEY BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND ANTAGONIST CYANOPINDOLOL
Descriptor: 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile, BETA-1 ADRENERGIC RECEPTOR, SODIUM ION, ...
Authors:Moukhametzianov, R, Warne, T, Edwards, P.C, Serrano-Vega, M.J, Leslie, A.G.W, Tate, C.G, Schertler, G.F.X.
Deposit date:2011-03-17
Release date:2011-06-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Two Distinct Conformations of Helix 6 Observed in Antagonist-Bound Structures of a {Beta}1- Adrenergic Receptor.
Proc.Natl.Acad.Sci.USA, 108, 2011
4BV0
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BU of 4bv0 by Molmil
High Resolution Structure of Evolved Agonist-bound Neurotensin Receptor 1 Mutant without Lysozyme Fusion
Descriptor: NEUROTENSIN RECEPTOR TYPE 1, NEUROTENSIN/NEUROMEDIN N
Authors:Egloff, P, Hillenbrand, M, Scott, D.J, Schlinkmann, K.M, Heine, P, Balada, S, Batyuk, A, Mittl, P, Schuetz, M, Plueckthun, A.
Deposit date:2013-06-24
Release date:2014-01-29
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of Signaling-Competent Neurotensin Receptor 1 Obtained by Directed Evolution in Escherichia Coli
Proc.Natl.Acad.Sci.USA, 111, 2014
2YCX
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BU of 2ycx by Molmil
TURKEY BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND ANTAGONIST CYANOPINDOLOL
Descriptor: 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile, BETA-1 ADRENERGIC RECEPTOR, octyl 1-thio-beta-D-glucopyranoside
Authors:Moukhametzianov, R, Warne, T, Edwards, P.C, Serrano-Vega, M.J, Leslie, A.G.W, Tate, C.G, Schertler, G.F.X.
Deposit date:2011-03-17
Release date:2011-06-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Two Distinct Conformations of Helix 6 Observed in Antagonist-Bound Structures of a Beta-1- Adrenergic Receptor.
Proc.Natl.Acad.Sci.USA, 108, 2011
3ZPR
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BU of 3zpr by Molmil
Thermostabilised turkey beta1 adrenergic receptor with 4-methyl-2-(piperazin-1-yl) quinoline bound
Descriptor: 4-METHYL-2-(PIPERAZIN-1-YL) QUINOLINE, BETA-1 ADRENERGIC RECEPTOR, CHOLESTEROL HEMISUCCINATE, ...
Authors:Christopher, J.A, Congreve, M, Dore, A.S, Marshall, F.H, Myszka, D.G, Brown, J, Koglin, M, Tehan, B, Errey, J.C, Tate, C.G, Warne, T.
Deposit date:2013-03-01
Release date:2013-04-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Biophysical Fragment Screening of the Beta1-Adrenergic Receptor: Identification of High Affinity Aryl Piperazine Leads Using Structure-Based Drug Design.
J.Med.Chem., 56, 2013
2YCZ
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BU of 2ycz by Molmil
TURKEY BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND ANTAGONIST IODOCYANOPINDOLOL
Descriptor: 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3-iodo-1H-indole-2-carbonitrile, BETA-1 ADRENERGIC RECEPTOR, octyl 1-thio-beta-D-glucopyranoside
Authors:Moukhametzianov, R, Warne, T, Edwards, P.C, Serrano-Vega, M.J, Leslie, A.G.W, Tate, C.G, Schertler, G.F.X.
Deposit date:2011-03-17
Release date:2011-06-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:Two Distinct Conformations of Helix 6 Observed in Antagonist-Bound Structures of a {Beta}1- Adrenergic Receptor.
Proc.Natl.Acad.Sci.USA, 108, 2011
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:2024-11-13
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
2YDO
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BU of 2ydo by Molmil
Thermostabilised HUMAN A2a Receptor with adenosine bound
Descriptor: ADENOSINE, ADENOSINE RECEPTOR A2A, octyl 1-thio-beta-D-glucopyranoside
Authors:Lebon, G, Warne, T, Edwards, P.C, Bennett, K, Langmead, C.J, Leslie, A.G.W, Tate, C.G.
Deposit date:2011-03-23
Release date:2011-05-18
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Agonist-Bound Adenosine A(2A) Receptor Structures Reveal Common Features of Gpcr Activation.
Nature, 474, 2011
2Y01
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BU of 2y01 by Molmil
TURKEY BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND PARTIAL AGONIST DOBUTAMINE (CRYSTAL DOB102)
Descriptor: BETA-1 ADRENERGIC RECEPTOR, CHOLESTEROL HEMISUCCINATE, DOBUTAMINE, ...
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:2011-03-30
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Structural Basis for Agonist and Partial Agonist Action on a Beta1-Adrenergic Receptor
Nature, 469, 2011
2Y00
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BU of 2y00 by Molmil
TURKEY BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND PARTIAL AGONIST DOBUTAMINE (CRYSTAL DOB92)
Descriptor: BETA-1 ADRENERGIC RECEPTOR, CHOLESTEROL HEMISUCCINATE, DOBUTAMINE, ...
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:2024-11-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Structural Basis for Agonist and Partial Agonist Action on a Beta1-Adrenergic Receptor
Nature, 469, 2011
4BWB
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BU of 4bwb by Molmil
Structure of Evolved Agonist-bound Neurotensin Receptor 1 Mutant without Lysozyme Fusion
Descriptor: NEUROTENSIN, NEUROTENSIN RECEPTOR TYPE 1
Authors:Egloff, P, Hillenbrand, M, Scott, D.J, Schlinkmann, K.M, Heine, P, Balada, S, Batyuk, A, Mittl, P, Plueckthun, A.
Deposit date:2013-07-01
Release date:2014-01-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.57 Å)
Cite:Structure of Signaling-Competent Neurotensin Receptor 1 Obtained by Directed Evolution in Escherichia Coli
Proc.Natl.Acad.Sci.USA, 111, 2014
6KUX
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BU of 6kux by Molmil
Crystal structures of the alpha2A adrenergic receptor in complex with an antagonist RSC.
Descriptor: (8~{a}~{R},12~{a}~{S},13~{a}~{S})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ...
Authors:Qu, L, Zhou, Q.T, Wu, D, Zhao, S.W.
Deposit date:2019-09-02
Release date:2019-12-04
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of the alpha2A adrenergic receptor in complex with an antagonist RSC.
To Be Published
6S0L
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BU of 6s0l by Molmil
Structure of the A2A adenosine receptor determined at SwissFEL using native-SAD at 4.57 keV from all available diffraction patterns
Descriptor: (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, ...
Authors:Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C.
Deposit date:2019-06-17
Release date:2020-07-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
6RNK
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BU of 6rnk by Molmil
Crystal structure of a humanized (K18E, K269N) rat succinate receptor SUCNR1 (GPR91) in complex with a nanobody and antagonist NF-56-EJ40.
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[2-[[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]carbonylamino]phenyl]ethanoic acid, GLYCEROL, ...
Authors:Haffke, M, Jaakola, V.-P.
Deposit date:2019-05-08
Release date:2019-08-14
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural basis of species-selective antagonist binding to the succinate receptor.
Nature, 574, 2019
6TP4
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BU of 6tp4 by Molmil
Crystal structure of the Orexin-1 receptor in complex with ACT-462206
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2~{S})-~{N}-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide, Orexin receptor type 1, ...
Authors:Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A.
Deposit date:2019-12-12
Release date:2020-01-01
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.011 Å)
Cite:Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 63, 2020

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