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
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
4EIY
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CRYSTAL STRUCTURE OF THE CHIMERIC PROTEIN OF A2AAR-BRIL IN COMPLEX WITH ZM241385 AT 1.8A RESOLUTION
Descriptor:Adenosine receptor A2a/Soluble cytochrome b562 chimera, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, SODIUM ION, ...
Authors:Liu, W., Chun, E., Thompson, A.A., Chubukov, P., Xu, F., Katritch, V., Han, G.W., Heitman, L.H., Ijzerman, A.P., Cherezov, V., Stevens, R.C., GPCR Network (GPCR)
Deposit date:2012-04-06
Release date:2012-07-25
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for allosteric regulation of GPCRs by sodium ions.
Science, 337, 2012
4N6H
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1.8 A STRUCTURE OF THE HUMAN DELTA OPIOID 7TM RECEPTOR (PSI COMMUNITY TARGET)
Descriptor:Soluble cytochrome b562, Delta-type opioid receptor chimeric protein, OLEIC ACID, ...
Authors:Fenalti, G., Giguere, P.M., Katritch, V., Huang, X.-P., Thompson, A.A., Han, G.W., Cherezov, V., Roth, B.L., Stevens, R.C., GPCR Network (GPCR)
Deposit date:2013-10-12
Release date:2013-12-25
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular control of delta-opioid receptor signalling.
Nature, 506, 2014
6PS7
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XFEL A2AR STRUCTURE BY LIGAND EXCHANGE FROM LUF5843 TO ZM241385.
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, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ...
Authors:Ishchenko, A., Stauch, B., Han, G.W., Batyuk, A., Shiriaeva, A., Li, C., Zatsepin, N.A., Weierstall, U., Liu, W., Nango, E., Nakane, T., Tanaka, R., Tono, K., Joti, Y., Iwata, S., Moraes, I., Gati, C., Cherezov, C.
Deposit date:2019-07-12
Release date:2019-11-13
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
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
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
5K2C
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1.9 ANGSTROM A2A ADENOSINE RECEPTOR STRUCTURE WITH SULFUR SAD PHASING AND PHASE EXTENSION USING XFEL DATA
Descriptor:Adenosine receptor A2a/Soluble cytochrome b562 chimera, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, SODIUM ION, ...
Authors:Batyuk, A., Galli, L., Ishchenko, A., Han, G.W., Gati, C., Popov, P., Lee, M.-Y., Stauch, B., White, T.A., Barty, A., Aquila, A., Hunter, M.S., Liang, M., Boutet, S., Pu, M., Liu, Z.-J., Nelson, G., James, D., Li, C., Zhao, Y., Spence, J.C.H., Liu, W., Fromme, P., Katritch, V., Weierstall, U., Stevens, R.C., Cherezov, V., GPCR Network (GPCR)
Deposit date:2016-05-18
Release date:2016-09-21
Last modified:2018-11-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Sci Adv, 2, 2016
5K2D
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1.9A ANGSTROM A2A ADENOSINE RECEPTOR STRUCTURE WITH MR PHASING USING XFEL DATA
Descriptor:Adenosine receptor A2a/Soluble cytochrome b562 chimera, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, SODIUM ION, ...
Authors:Batyuk, A., Galli, L., Ishchenko, A., Han, G.W., Gati, C., Popov, P., Lee, M.-Y., Stauch, B., White, T.A., Barty, A., Aquila, A., Hunter, M.S., Liang, M., Boutet, S., Pu, M., Liu, Z.-J., Nelson, G., James, D., Li, C., Zhao, Y., Spence, J.C.H., Liu, W., Fromme, P., Katritch, V., Weierstall, U., Stevens, R.C., Cherezov, V., GPCR Network (GPCR)
Deposit date:2016-05-18
Release date:2016-09-21
Last modified:2018-11-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Sci Adv, 2, 2016
5OLZ
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STRUCTURE OF THE A2A-STAR2-BRIL562-COMPOUND 4E COMPLEX AT 1.9A OBTAINED FROM BESPOKE CO-CRYSTALLISATION EXPERIMENTS.
Descriptor:Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol, 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 (1.9 Å)
Cite:Towards high throughput GPCR crystallography: In Meso soaking of Adenosine A2A Receptor crystals.
Sci Rep, 8, 2018
6RNK
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CRYSTAL STRUCTURE OF A HUMANIZED (K18E, K269N) RAT SUCCINATE RECEPTOR SUCNR1 (GPR91) IN COMPLEX WITH A NANOBODY AND ANTAGONIST NF-56-EJ40.
Descriptor:Succinate receptor 1, Nanobody6, 2-[2-[[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]carbonylamino]phenyl]ethanoic acid, ...
Authors:Haffke, M., Jaakola, V.-P.
Deposit date:2019-05-08
Release date:2019-08-14
Last modified:2019-11-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural basis of species-selective antagonist binding to the succinate receptor.
Nature, 574, 2019
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
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (1.948 Å)
Cite:Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
5WQC
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CRYSTAL STRUCTURE OF HUMAN OREXIN 2 RECEPTOR BOUND TO THE SELECTIVE ANTAGONIST EMPA DETERMINED BY THE SYNCHROTRON LIGHT SOURCE AT SPRING-8.
Descriptor:Orexin receptor type 2,GlgA glycogen synthase,Orexin receptor type 2, N-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide, OLEIC ACID, ...
Authors:Suno, R., Hirata, K., Yamashita, K., Tsujimoto, H., Sasanuma, M., Horita, S., Yamamoto, M., Rosenbaum, D.M., Iwata, S., Shimamura, T., Kobayashi, T.
Deposit date:2016-11-25
Release date:2017-11-29
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal Structures of Human Orexin 2 Receptor Bound to the Subtype-Selective Antagonist EMPA
Structure, 26, 2018
5OLV
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STRUCTURE OF THE A2A-STAR2-BRIL562-LUAA47070 COMPLEX AT 2.0A OBTAINED FROM IN MESO SOAKING EXPERIMENTS.
Descriptor:Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, 4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{N}-(1,3-thiazol-2-yl)benzamide, SODIUM ION, ...
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 (1.998 Å)
Cite:Towards high throughput GPCR crystallography: In Meso soaking of Adenosine A2A Receptor crystals.
Sci Rep, 8, 2018
5MZJ
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CRYSTAL STRUCTURE OF STABILIZED A2A ADENOSINE RECEPTOR A2AR-STAR2-BRIL IN COMPLEX WITH THEOPHYLLINE AT 2.0A RESOLUTION
Descriptor:Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, SODIUM ION, THEOPHYLLINE, ...
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:2017-01-31
Release date:2017-07-26
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of Human A1 and A2A Adenosine Receptors with Xanthines Reveal Determinants of Selectivity.
Structure, 25, 2017
5OM4
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STRUCTURE OF THE A2A-STAR2-BRIL562-COMPOUND 4E COMPLEX AT 1.86A OBTAINED FROM IN MESO SOAKING EXPERIMENTS (24 HOUR SOAK).
Descriptor:Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol, SODIUM ION, ...
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 (2 Å)
Cite:Towards high throughput GPCR crystallography: In Meso soaking of Adenosine A2A Receptor crystals.
Sci Rep, 8, 2018
6GT3
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CRYSTAL STRUCTURE OF THE A2A-STAR2-BRIL562 IN COMPLEX WITH AZD4635 AT 2.0A RESOLUTION
Descriptor:Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, SODIUM ION, 6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine, ...
Authors:Borodovsky, A., Wang, Y., Deng, N., Ye, M., Stephen, T.L., Goodwin, K., Goodwin, R., Strittmatter, N., Shaw, J., Sachsenmeier, K., Clarke, J.D., Hay, C., Reimer, C., Andrews, S.P., Brown, G.A., Congreve, M., Cheng, R.K.Y., Dore, A.S., Mason, J.S., Marshall, F.H., Weir, M.P., Lyne, P., Woessner, R.
Deposit date:2018-06-15
Release date:2019-06-26
Method:X-RAY DIFFRACTION (2 Å)
Cite:Preclinical pharmacodynamics and antitumor activity of AZD4635, a novel adenosine 2A receptor inhibitor that reverses adenosine mediated immune suppression
To Be Published
6IGK
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CRYSTAL STRUCTURE OF HUMAN ETB RECEPTOR IN COMPLEX WITH ENDOTHELIN-3
Descriptor:Endothelin receptor type B,Endolysin,Endothelin receptor type B, Endothelin-3, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ...
Authors:Shihoya, W., Izume, T., Inoue, A., Yamashita, K., Kadji, F.M.N., Hirata, K., Aoki, J., Nishizawa, T., Nureki, O.
Deposit date:2018-09-25
Release date:2018-11-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of human ETBreceptor provide mechanistic insight into receptor activation and partial activation.
Nat Commun, 9, 2018
5IU8
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CRYSTAL STRUCTURE OF STABILIZED A2A ADENOSINE RECEPTOR A2AR-STAR2-BRIL IN COMPLEX WITH COMPOUND 12F AT 2.0A RESOLUTION
Descriptor:Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, SODIUM ION, 2-(furan-2-yl)-N~5~-[2-(4-methylpiperazin-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:2017-11-22
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength.
J.Med.Chem., 59, 2016
4BVN
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ULTRA-THERMOSTABLE BETA1-ADRENOCEPTOR WITH CYANOPINDOLOL BOUND
Descriptor:BETA-1 ADRENERGIC RECEPTOR, SODIUM ION, 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:2019-04-03
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
5C1M
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CRYSTAL STRUCTURE OF ACTIVE MU-OPIOID RECEPTOR BOUND TO THE AGONIST BU72
Descriptor:Mu-type opioid receptor, Nanobody 39, (2S,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, ...
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:2019-12-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into mu-opioid receptor activation.
Nature, 524, 2015
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
5MZP
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CRYSTAL STRUCTURE OF STABILIZED A2A ADENOSINE RECEPTOR A2AR-STAR2-BRIL IN COMPLEX WITH CAFFEINE AT 2.1A RESOLUTION
Descriptor:Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, SODIUM ION, CAFFEINE, ...
Authors:Cheng, K.Y.R., Segala, E., Robertson, N., Deflorian, F., Dore, A.S., Errey, J.C., Fiez-Vandal, C., Marshall, F.H., Cooke, R.M.
Deposit date:2017-02-01
Release date:2017-07-26
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of Human A1 and A2A Adenosine Receptors with Xanthines Reveal Determinants of Selectivity.
Structure, 25, 2017
5OM1
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STRUCTURE OF THE A2A-STAR2-BRIL562-COMPOUND 4E COMPLEX AT 2.1A OBTAINED FROM IN MESO SOAKING EXPERIMENTS (1 HOUR SOAK).
Descriptor:Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol, SODIUM ION, ...
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 (2.1 Å)
Cite:Towards high throughput GPCR crystallography: In Meso soaking of Adenosine A2A Receptor crystals.
Sci Rep, 8, 2018
6TOD
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CRYSTAL STRUCTURE OF THE OREXIN-1 RECEPTOR IN COMPLEX WITH EMPA
Descriptor:Orexin receptor type 1, N-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide, SULFATE ION, ...
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:2019-12-11
Release date:2020-01-01
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 2020