5DSG
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STRUCTURE OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR (M4-MT4L) BOUND TO TIOTROPIUM
Descriptor:Muscarinic acetylcholine receptor M4,Endolysin,Endolysin,Muscarinic acetylcholine receptor M4, (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, OLEIC ACID, ...
Authors:Thal, D.M., Kobilka, B.K., Sexton, P.M., Christopoulos, A.
Deposit date:2015-09-17
Release date:2016-03-16
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of the M1 and M4 muscarinic acetylcholine receptors.
Nature, 531, 2016
5F8U
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LIGAND OCCUPANCY IN CRYSTAL STRUCTURE OF BETA1-ADRENERGIC RECEPTOR PREVIOUSLY SUBMITTED BY HUANG ET AL
Descriptor:Beta-1 adrenergic receptor, 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile
Authors:Leslie, A.G.W., Warne, A., Tate, C.G.
Deposit date:2015-12-09
Release date:2015-12-23
Last modified:2018-12-26
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
5G53
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STRUCTURE OF THE ADENOSINE A2A RECEPTOR BOUND TO AN ENGINEERED G PROTEIN
Descriptor:ADENOSINE RECEPTOR A2A, ENGINEERED DOMAIN OF HUMAN G ALPHA S LONG ISOFORM, N-ETHYL-5'-CARBOXAMIDO ADENOSINE, ...
Authors:Carpenter, B., Nehme, R., Warne, T., Leslie, A.G.W., Tate, C.G.
Deposit date:2016-05-19
Release date:2016-08-03
Last modified:2017-03-08
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure of the Adenosine A2A Receptor Bound to an Engineered G Protein
Nature, 536, 2016
5GLI
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HUMAN ENDOTHELIN RECEPTOR TYPE-B IN THE LIGAND-FREE FORM
Descriptor:Endothelin Receptor Subtype-B, SULFATE ION, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ...
Authors:Shihoya, W., Nishizawa, T., Okuta, A., Tani, K., Fujiyoshi, Y., Dohmae, N., Nureki, O., Doi, T.
Deposit date:2016-07-11
Release date:2016-09-07
Last modified:2016-09-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Activation mechanism of endothelin ETB receptor by endothelin-1.
Nature, 537, 2016
5IU4
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CRYSTAL STRUCTURE OF STABILIZED A2A ADENOSINE RECEPTOR A2AR-STAR2-BRIL IN COMPLEX WITH ZM241385 AT 1.7A RESOLUTION
Descriptor:Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, SODIUM ION, 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:Segala, E., Guo, D., Cheng, R.K.Y., Bortolato, A., Deflorian, F., Dore, A.S., Errey, J.C., Heitman, L.H., Ijzerman, A.P., Marshall, F.H., Cooke, R.M.
Deposit date:2016-03-17
Release date:2016-06-29
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength.
J.Med.Chem., 59, 2016
5IU7
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CRYSTAL STRUCTURE OF STABILIZED A2A ADENOSINE RECEPTOR A2AR-STAR2-BRIL IN COMPLEX WITH COMPOUND 12C AT 1.9A RESOLUTION
Descriptor:Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, SODIUM ION, 2-(furan-2-yl)-N~5~-[2-(4-phenylpiperidin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine, ...
Authors:Segala, E., Guo, D., Cheng, R.K.Y., Bortolato, A., Deflorian, F., Dore, A.S., Errey, J.C., Heitman, L.H., Ijzerman, A.P., Marshall, F.H., Cooke, R.M.
Deposit date:2016-03-17
Release date:2016-06-29
Last modified:2016-07-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength.
J.Med.Chem., 59, 2016
5IUB
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CRYSTAL STRUCTURE OF STABILIZED A2A ADENOSINE RECEPTOR A2AR-STAR2-BRIL IN COMPLEX WITH COMPOUND 12X AT 2.1A RESOLUTION
Descriptor:Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, SODIUM ION, N~5~-{2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl}-2-(furan-2-yl)[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine, ...
Authors:Segala, E., Guo, D., Cheng, R.K.Y., Bortolato, A., Deflorian, F., Dore, A.S., Errey, J.C., Heitman, L.H., Ijzerman, A.P., Marshall, F.H., Cooke, R.M.
Deposit date:2016-03-17
Release date:2016-06-29
Last modified:2016-07-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength.
J.Med.Chem., 59, 2016
5LWE
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CRYSTAL STRUCTURE OF THE HUMAN CC CHEMOKINE RECEPTOR TYPE 9 (CCR9) IN COMPLEX WITH VERCIRNON
Descriptor:C-C chemokine receptor type 9, Vercirnon, OLEIC ACID, ...
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:2016-12-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Intracellular allosteric antagonism of the CCR9 receptor.
Nature, 540, 2016
5N2R
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CRYSTAL STRUCTURE OF STABILIZED A2A ADENOSINE RECEPTOR A2AR-STAR2-BRIL IN COMPLEX WITH PSB36 AT 2.8A RESOLUTION
Descriptor:Adenosine receptor A2a,Soluble cytochrome b562,ADENOSINE RECEPTOR A2A SOLUBLE CYTOCHROME B562 ADENOSINE RECEPTOR A2A,Adenosine receptor A2a, SODIUM ION, 1-butyl-3-[(~{E})-3-oxidanylprop-1-enyl]-8-[(1~{R},5~{S})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{H}-purine-2,6-dione, ...
Authors:Cheng, R.K.Y., Segala, E., Robertson, N., Deflorian, F., Dore, A.S., Errey, J.C., Fiez-Vandal, C., Marshall, F.H., Cooke, R.M.
Deposit date:2017-02-08
Release date:2017-07-26
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of Human A1 and A2A Adenosine Receptors with Xanthines Reveal Determinants of Selectivity.
Structure, 25, 2017
5N2S
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CRYSTAL STRUCTURE OF STABILIZED A1 RECEPTOR IN COMPLEX WITH PSB36 AT 3.3A RESOLUTION
Descriptor:Soluble cytochrome b562,Adenosine receptor A1, 1-butyl-3-(3-oxidanylpropyl)-8-[(1~{R},5~{S})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{H}-purine-2,6-dione, SULFATE ION
Authors:Cheng, R.K.Y., Segala, E., Robertson, N., Deflorian, F., Dore, A.S., Errey, J.C., Fiez-Vandal, C., Marshall, F.H., Cooke, R.M.
Deposit date:2017-02-08
Release date:2017-07-26
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (3.303 Å)
Cite:Structures of Human A1 and A2A Adenosine Receptors with Xanthines Reveal Determinants of Selectivity.
Structure, 25, 2017
5NJ6
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CRYSTAL STRUCTURE OF A THERMOSTABILISED HUMAN PROTEASE-ACTIVATED RECEPTOR-2 (PAR2) IN TERNARY COMPLEX WITH FAB3949 AND AZ7188 AT 4.0 ANGSTROM RESOLUTION
Descriptor:Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2, Fab3949 H, Fab3949 L
Authors:Cheng, R.K.Y., Fiez-Vandal, C., Schlenker, O., Edman, K., Aggeler, B., Brown, D.G., Brown, G., Cooke, R.M., Dumelin, C.E., Dore, A.S., Geschwindner, S., Grebner, C., Hermansson, N.-O., Jazayeri, A., Johansson, P., Leong, L., Prihandoko, R., Rappas, M., Soutter, H., Snijder, A., Sundstrom, L., Tehan, B., Thornton, P., Troast, D., Wiggin, G., Zhukov, A., Marshall, F.H., Dekker, N.
Deposit date:2017-03-28
Release date:2017-05-03
Last modified:2017-05-17
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structural insight into allosteric modulation of protease-activated receptor 2.
Nature, 545, 2017
5NLX
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A2A ADENOSINE RECEPTOR ROOM-TEMPERATURE STRUCTURE DETERMINED BY SERIAL MILLISECOND CRYSTALLOGRAPHY
Descriptor:Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, OLEIC ACID, SODIUM ION, ...
Authors:Weinert, T., Cheng, R., James, D., Gashi, D., Nogly, P., Jaeger, K., Dore, A.S., Geng, T., Cooke, R., Hennig, M., Standfuss, J.
Deposit date:2017-04-05
Release date:2017-09-27
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
5NM2
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A2A ADENOSINE RECEPTOR CRYO STRUCTURE
Descriptor:Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, SODIUM ION, 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:Weinert, T., Cheng, R., James, D., Gashi, D., Nogly, P., Jaeger, K., Dore, A.S., Geng, T., Cooke, R., Hennig, M., Standfuss, J.
Deposit date:2017-04-05
Release date:2017-09-27
Method:X-RAY DIFFRACTION (1.948 Å)
Cite:Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
5NM4
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A2A ADENOSINE RECEPTOR ROOM-TEMPERATURE STRUCTURE DETERMINED BY SERIAL FEMTOSECOND CRYSTALLOGRAPHY
Descriptor:Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, OLEIC ACID, SODIUM ION, ...
Authors:Weinert, T., Cheng, R., James, D., Gashi, D., Nogly, P., Jaeger, K., Hennig, M., Standfuss, J.
Deposit date:2017-04-05
Release date:2017-09-27
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
5O9H
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CRYSTAL STRUCTURE OF THERMOSTABILISED HUMAN C5A ANAPHYLATOXIN CHEMOTACTIC RECEPTOR 1 (C5AR) IN COMPLEX WITH NDT9513727
Descriptor:C5a anaphylatoxin chemotactic receptor 1, 1-(1,3-benzodioxol-5-yl)-~{N}-(1,3-benzodioxol-5-ylmethyl)-~{N}-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]methanamine, L(+)-TARTARIC 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:2018-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of the complement C5a receptor bound to the extra-helical antagonist NDT9513727.
Nature, 553, 2018
5OLG
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STRUCTURE OF THE A2A-STAR2-BRIL562-ZM241385 COMPLEX AT 1.86A OBTAINED FROM IN MESO SOAKING EXPERIMENTS.
Descriptor:Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, CHOLESTEROL, ...
Authors:Rucktooa, P., Cheng, R.K.Y., Segala, E., Geng, T., Errey, J.C., Brown, G.A., Cooke, R., Marshall, F.H., Dore, A.S.
Deposit date:2017-07-27
Release date:2018-01-17
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Towards high throughput GPCR crystallography: In Meso soaking of Adenosine A2A Receptor crystals.
Sci Rep, 8, 2018
5OLO
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STRUCTURE OF THE A2A-STAR2-BRIL562-TOZADENANT COMPLEX AT 3.1A OBTAINED FROM IN MESO SOAKING EXPERIMENTS.
Descriptor:Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ~{N}-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-methyl-4-oxidanyl-piperidine-1-carboxamide, CHOLESTEROL, ...
Authors:Rucktooa, P., Cheng, R.K.Y., Segala, E., Geng, T., Errey, J.C., Brown, G.A., Cooke, R., Marshall, F.H., Dore, A.S.
Deposit date:2017-07-28
Release date:2018-01-17
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Towards high throughput GPCR crystallography: In Meso soaking of Adenosine A2A Receptor crystals.
Sci Rep, 8, 2018
5UEN
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CRYSTAL STRUCTURE OF THE HUMAN ADENOSINE A1 RECEPTOR A1AR-BRIL IN COMPLEX WITH THE COVALENT ANTAGONIST DU172 AT 3.2A RESOLUTION
Descriptor:Adenosine receptor A1,Soluble cytochrome b562,Adenosine receptor A1, 4-{[3-(8-cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3H-purin-3-yl)propyl]carbamoyl}benzene-1-sulfonyl fluoride, OLEIC ACID
Authors:Glukhova, A., Thal, D.M., Nguyen, A.T., Vecchio, E.A., Jorg, M., Scammells, P.J., May, L.T., Sexton, P.M., Christopoulos, A.
Deposit date:2017-01-03
Release date:2017-03-01
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of the Adenosine A1 Receptor Reveals the Basis for Subtype Selectivity.
Cell, 168, 2017
5V54
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CRYSTAL STRUCTURE OF 5-HT1B RECEPTOR IN COMPLEX WITH METHIOTHEPIN
Descriptor:5-hydroxytryptamine receptor 1B,OB-1 fused 5-HT1b receptor,5-hydroxytryptamine receptor 1B, 1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine
Authors:Yin, W.C., Zhou, X.E., Yang, D., de Waal, P., Wang, M.T., Dai, A., Cai, X., Huang, C.Y., Liu, P., Yin, Y., Liu, B., Caffrey, M., Melcher, K., Xu, Y., Wang, M.W., Xu, H.E., Jiang, Y.
Deposit date:2017-03-13
Release date:2018-02-07
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:A common antagonistic mechanism for class A GPCRs revealed by the structure of the human 5-HT1B serotonin receptor bound to an antagonist
Cell Discov, 2018
5WB1
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LIGAND-FREE US28 WITH STABILIZING INTRACELLULAR NANOBODY
Descriptor:Envelope protein US28, nanobody 7 fusion protein
Authors:Jude, K.M., Burg, J.S., Garcia, K.C.
Deposit date:2017-06-27
Release date:2018-06-13
Last modified:2018-07-25
Method:X-RAY DIFFRACTION (3.508 Å)
Cite:Viral GPCR US28 can signal in response to chemokine agonists of nearly unlimited structural degeneracy.
Elife, 7, 2018
5WB2
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US28 BOUND TO ENGINEERED CHEMOKINE CX3CL1.35 AND NANOBODIES
Descriptor:Envelope protein US28, nanobody 7 fusion protein, CX3CL1 protein, ...
Authors:Jude, K.M., Burg, J.S., Tsutsumi, N., Miles, T.F., Garcia, K.C.
Deposit date:2017-06-27
Release date:2018-06-13
Last modified:2018-12-26
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Viral GPCR US28 can signal in response to chemokine agonists of nearly unlimited structural degeneracy.
Elife, 7, 2018
5X93
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HUMAN ENDOTHELIN RECEPTOR TYPE-B IN COMPLEX WITH ANTAGONIST K-8794
Descriptor:Endothelin B receptor,Endolysin,Endothelin B receptor, 3-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]oxy-N-(2,6-dimethylphenyl)propanamide, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ...
Authors:Shihoya, W., Nishizawa, T., Yamashita, K., Hirata, K., Okuta, A., Tani, K., Fujiyoshi, Y., Doi, T., Nureki, O.
Deposit date:2017-03-05
Release date:2017-08-16
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray structures of endothelin ETB receptor bound to clinical antagonist bosentan and its analog
Nat. Struct. Mol. Biol., 24, 2017
5XPR
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HUMAN ENDOTHELIN RECEPTOR TYPE-B IN COMPLEX WITH ANTAGONIST BOSENTAN
Descriptor:Endothelin B receptor,Endolysin,Endothelin B receptor, 4-tert-butyl-N-[6-(2-hydroxyethyloxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]benzenesulfonamide, SULFATE ION
Authors:Shihoya, W., Nishizawa, T., Yamashita, K., Hirata, K., Okuta, A., Tani, K., Fujiyoshi, Y., Doi, T., Nureki, O.
Deposit date:2017-06-04
Release date:2017-08-16
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:X-ray structures of endothelin ETB receptor bound to clinical antagonist bosentan and its analog
Nat. Struct. Mol. Biol., 24, 2017
5YC8
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CRYSTAL STRUCTURE OF RATIONALLY THERMOSTABILIZED M2 MUSCARINIC ACETYLCHOLINE RECEPTOR BOUND WITH NMS (HG-DERIVATIVE)
Descriptor:Muscarinic acetylcholine receptor M2,Redesigned apo-cytochrome b562,Muscarinic acetylcholine receptor M2, N-methyl scopolamine, MERCURY (II) ION
Authors:Suno, R., Maeda, S., Yasuda, S., Yamashita, K., Hirata, K., Horita, S., Tawaramoto, M.S., Tsujimoto, H., Murata, T., Kinoshita, M., Yamamoto, M., Kobilka, B.K., Iwata, S., Kobayashi, T.
Deposit date:2017-09-06
Release date:2018-11-21
Last modified:2018-11-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into the subtype-selective antagonist binding to the M2muscarinic receptor
Nat. Chem. Biol., 14, 2018
5YHL
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CRYSTAL STRUCTURE OF THE HUMAN PROSTAGLANDIN E RECEPTOR EP4 IN COMPLEX WITH FAB AND AN ANTAGONIST BR-DERIVATIVE
Descriptor:Prostaglandin E2 receptor EP4 subtype, Heavy chain of Fab fragment, Light chain of Fab fragment, ...
Authors:Toyoda, Y., Morimoto, K., Suno, R., Horita, S., Iwata, S., Kobayashi, T.
Deposit date:2017-09-28
Release date:2018-12-05
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Ligand binding to human prostaglandin E receptor EP4at the lipid-bilayer interface.
Nat. Chem. Biol., 15, 2019