Author results

3FXW
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HIGH RESOLUTION CRYSTAL STRUCTURE OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE 3/INHIBITOR 2 COMPLEX
Descriptor:MAP kinase-activated protein kinase 3, 2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE
Authors:Cheng, R.K.Y., Barker, J., Palan, S., Felicetti, B., Whittaker, M., Hesterkamp, T.
Deposit date:2009-01-21
Release date:2010-01-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:High resolution crystal structure of mitogen-activated protein kinase-activated protein kinase 3/inhibitor 2 complex
To be Published
3I8V
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CRYSTAL STRUCTURE OF HUMAN PDE4A WITH 4-(3-BUTOXY-4-METHOXYPHENYL)METHYL-2-IMIDAZOLIDONE
Descriptor:cAMP-specific 3',5'-cyclic phosphodiesterase 4A, ZINC ION, MAGNESIUM ION, ...
Authors:Cheng, R.K.Y., Crawley, L., Barker, J., Wood, M., Felicetti, B., Whittaker, M.
Deposit date:2009-07-10
Release date:2009-07-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of human PDE4a with 4-(3-butoxy-4-methoxyphenyl)methyl-2-imidazolidone
To be Published
3IAK
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CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 4D (PDE4D) WITH PAPAVERINE.
Descriptor:cAMP-specific 3',5'-cyclic phosphodiesterase 4D, ZINC ION, MAGNESIUM ION, ...
Authors:Cheng, R.K.Y., Crawley, L., Barker, J., Wood, M., Felicetti, B., Whittaker, M.
Deposit date:2009-07-14
Release date:2009-09-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of human phosphodiesterase 4d (PDE4d) with papaverine.
To be Published
3K6L
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THE STRUCTURE OF E.COLI PEPTIDE DEFORMYLASE (PDF) IN COMPLEX WITH PEPTIDOMIMETIC LIGAND BB2827
Descriptor:Peptide deformylase, NICKEL (II) ION, (2S,3R)-N~4~-[(1S)-1-(dimethylcarbamoyl)-2,2-dimethylpropyl]-N~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide
Authors:Cheng, R.K.Y., Crawley, L., Wood, M., Barker, J., Felicetti, B., Whittaker, M.
Deposit date:2009-10-09
Release date:2009-11-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The structure of E.coli peptide deformylase (PDF) in complex with peptidomimetic ligand BB2827
To be Published
3KKT
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CRYSTAL STRUCTURE OF HUMAN PDE4B WITH 5-[3-[(1S,2S,4R)-BICYCLO[2.2.1]HEPT-2-YLOXY]-4-METHOXYP HENYL]TETRAHYDRO-2(1H)-PYRIMIDINONE REVEALS ORDERING OF THE C-TERMINAL HELIX RESIDUES 502-509.
Descriptor:cAMP-specific 3',5'-cyclic phosphodiesterase 4B, ZINC ION, 5-{3-[(1S,2S,4R)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl}tetrahydropyrimidin-2(1H)-one, ...
Authors:Cheng, R.K.Y., Crawley, L., Barker, J., Whittaker, M.
Deposit date:2009-11-06
Release date:2009-11-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Crystal structure of human PDE4b with 5-[3-[(1S,2S,4R)-Bicyclo[2.2.1]hept-2-yloxy]-4-methoxyp henyl]tetrahydro-2(1H)-pyrimidinone reveals ordering of the C-terminal helix residues 502-509.
To be Published
3KQ7
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STRUCTURE OF HUMAN P38ALPHA WITH N-[4-METHYL-3-(6-{[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]AMINO}PYRIDINE-3-AMIDO)PHENYL]-2-(MORPHOLIN-4-YL)PYRIDINE-4-CARBOXAMIDE
Descriptor:Mitogen-activated protein kinase p38 alpha, N-(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)-6-({2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}amino)pyridine-3-carboxamide, ACETATE ION
Authors:Cheng, R.K.Y., Barker, J., Whittaker, M.
Deposit date:2009-11-17
Release date:2009-12-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of human p38alpha with N-[4-methyl-3-(6-{[2-(1-methylpyrrolidin-2-yl)ethyl]amino}pyridine-3-amido)phenyl]-2-(morpholin-4-yl)pyridine-4-carboxamide
TO BE PUBLISHED
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
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
5NDD
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CRYSTAL STRUCTURE OF A THERMOSTABILISED HUMAN PROTEASE-ACTIVATED RECEPTOR-2 (PAR2) IN COMPLEX WITH AZ8838 AT 2.8 ANGSTROM RESOLUTION
Descriptor:Lysozyme,Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2, (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol, SODIUM ION, ...
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:2017-03-08
Release date:2017-05-03
Last modified:2017-05-17
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Structural insight into allosteric modulation of protease-activated receptor 2.
Nature, 545, 2017
5NDZ
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CRYSTAL STRUCTURE OF A THERMOSTABILISED HUMAN PROTEASE-ACTIVATED RECEPTOR-2 (PAR2) IN COMPLEX WITH AZ3451 AT 3.6 ANGSTROM RESOLUTION
Descriptor:Lysozyme,Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2, 2-(6-bromanyl-1,3-benzodioxol-5-yl)-~{N}-(4-cyanophenyl)-1-[(1~{S})-1-cyclohexylethyl]benzimidazole-5-carboxamide, SODIUM ION
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:2017-03-09
Release date:2017-05-03
Last modified:2017-05-17
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural insight into allosteric modulation of protease-activated receptor 2.
Nature, 545, 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
3SAY
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CRYSTAL STRUCTURE OF HUMAN GLYCOGEN SYNTHASE KINASE 3 BETA (GSK3B) IN COMPLEX WITH INHIBITOR 142
Descriptor:Glycogen synthase kinase-3 beta, (3Z)-N,N-diethyl-3-[(3E)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-ylidene]-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide, MALONIC ACID, ...
Authors:Mazanetz, M.P., Cheng, R.K.Y., Rowan, F., Laughton, C.A., Barker, J.J., Fischer, P.M.
Deposit date:2011-06-03
Release date:2012-06-13
Last modified:2016-12-28
Method:X-RAY DIFFRACTION (2.231 Å)
Cite:Crystal structure of human glycogen synthase kinase 3 beta (GSK3b) in complex with inhibitor 142
To be Published
3HOF
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STRUCTURE OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) WITH CAFFEIC ACID AT 1.9A RESOLUTION
Descriptor:Macrophage migration inhibitory factor, CAFFEIC ACID
Authors:Crawley, L., Barker, J., Cheng, R.K.Y., Wood, M., Felicetti, B.
Deposit date:2009-06-02
Release date:2009-06-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of macrophage migration inhibitory factor (MIF) with caffeic acid at 1.9A resolution
To be Published
3HYY
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CRYSTAL STRUCTURE OF HSP90 WITH FRAGMENT 37-D04
Descriptor:Heat shock protein HSP 90-alpha, methyl 5-furan-2-yl-3-methyl-1H-pyrazole-4-carboxylate
Authors:Barker, J., Mather, O., Cheng, R.K.Y., Palan, S., Felicetti, B., Whittaker, M.
Deposit date:2009-06-23
Release date:2010-07-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Hsp90 with fragment 37-D04
TO BE PUBLISHED
3HYZ
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CRYSTAL STRUCTURE OF HSP90 WITH FRAGMENT 42-C03
Descriptor:Heat shock protein HSP 90-alpha, N,N-dimethyl-7H-purin-6-amine
Authors:Barker, J., Mather, O., Cheng, R.K.Y., Palan, S., Felicetti, B., Whittaker, M.
Deposit date:2009-06-23
Release date:2010-07-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of Hsp90 with fragment 42-C03
TO BE PUBLISHED
3HZ1
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CRYSTAL STRUCTURE OF HSP90 WITH FRAGMENTS 37-D04 AND 42-C03
Descriptor:Heat shock protein HSP 90-alpha, N,N-dimethyl-7H-purin-6-amine, methyl 5-furan-2-yl-3-methyl-1H-pyrazole-4-carboxylate
Authors:Barker, J., Mather, O., Cheng, R.K.Y., Palan, S., Felicetti, B., Whittaker, M.
Deposit date:2009-06-23
Release date:2010-07-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of Hsp90 with fragments 37-D04 and 42-C03
TO BE PUBLISHED
3HZ5
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CRYSTAL STRUCTURE OF HSP90 WITH FRAGMENT Z064
Descriptor:Heat shock protein HSP 90-alpha, N-[4-(5-furan-2-yl-3-methyl-1H-pyrazol-4-yl)butyl]-N-methyl-7H-purin-6-amine
Authors:Barker, J., Mather, O., Cheng, R.K.Y., Palan, S., Felicetti, B., Whittaker, M.
Deposit date:2009-06-23
Release date:2010-07-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Hsp90 with fragment Z064
to be published
3K4S
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THE STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN PDE4D WITH 4-(3-BUTOXY-4-METHOXYPHENYL)METHYL-2-IMIDAZOLIDONE
Descriptor:cAMP-specific 3',5'-cyclic phosphodiesterase 4D, ZINC ION, (4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one, ...
Authors:Crawley, L., Cheng, R.K.Y., Wood, M., Barker, J., Felicetti, B., Whittaker, M.
Deposit date:2009-10-06
Release date:2009-10-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The structure of the catalytic domain of human PDE4d with 4-(3-Butoxy-4-methoxyphenyl)methyl-2-imidazolidone
To be Published
3K5E
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THE STRUCTURE OF HUMAN KINESIN-LIKE MOTOR PROTEIN KIF11/KSP/EG5 IN COMPLEX WITH ADP AND ENASTROL.
Descriptor:Kinesin-like protein KIF11, (4S,5R)-5-hydroxy-4-(3-hydroxyphenyl)-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Crawley, L., Cheng, R.K.Y., Wood, M., Barker, J., Felicetti, B., Whittaker, M.
Deposit date:2009-10-07
Release date:2009-10-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:The structure of human kinesin-like motor protein Kif11/KSP/Eg5 in complex with ADP and enastrol.
To be Published
4Z9G
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CRYSTAL STRUCTURE OF HUMAN CORTICOTROPIN-RELEASING FACTOR RECEPTOR 1 (CRF1R) IN COMPLEX WITH THE ANTAGONIST CP-376395 IN A HEXAGONAL SETTING WITH TRANSLATIONAL NON-CRYSTALLOGRAPHIC SYMMETRY
Descriptor:Corticotropin-releasing factor receptor 1,Lysozyme,Corticotropin-releasing factor receptor 1, OLEIC ACID, 3,6-dimethyl-N-(pentan-3-yl)-2-(2,4,6-trimethylphenoxy)pyridin-4-amine, ...
Authors:Dore, A.S., Bortolato, A., Hollenstein, K., Cheng, R.K.Y., Read, R.J., Marshall, F.H.
Deposit date:2015-04-10
Release date:2016-06-29
Last modified:2017-12-06
Method:X-RAY DIFFRACTION (3.183 Å)
Cite:Decoding Corticotropin-Releasing Factor Receptor Type 1 Crystal Structures.
Curr Mol Pharmacol, 10, 2017
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
5OLH
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STRUCTURE OF THE A2A-STAR2-BRIL562-VIPADENANT COMPLEX AT 2.6A OBTAINED FROM IN MESO SOAKING EXPERIMENTS.
Descriptor:Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, 3-[(4-azanyl-3-methyl-phenyl)methyl]-7-(furan-2-yl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine, OLEIC ACID, ...
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 (2.6 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
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
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