Author results

5NJM
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LYSOZYME ROOM-TEMPERATURE STRUCTURE DETERMINED BY SERIAL MILLISECOND CRYSTALLOGRAPHY
Descriptor:Lysozyme C
Authors:Weinert, T., Vera, L., Marsh, M., James, D., Gashi, D., Nogly, P., Jaeger, K., Standfuss, J.
Deposit date:2017-03-29
Release date:2017-09-27
Method:X-RAY DIFFRACTION (1.5 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
5O5W
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MOLYBDENUM STORAGE PROTEIN ROOM-TEMPERATURE STRUCTURE DETERMINED BY SERIAL MILLISECOND CRYSTALLOGRAPHY
Descriptor:Molybdenum storage protein subunit alpha, Molybdenum storage protein subunit beta, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Steffen, B., Weinert, T., Ermler, U., Standfuss, J.
Deposit date:2017-06-02
Release date:2017-09-27
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
5NQU
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TUBULIN DARPIN CRYO STRUCTURE
Descriptor:Tubulin alpha-1B chain, Tubulin beta-2B chain, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
Authors:Weinert, T., Olieric, N., James, D., Gashi, D., Nogly, P., Jaeger, K., Steinmetz, M.O., Standfuss, J.
Deposit date:2017-04-21
Release date:2017-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 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
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
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
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
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
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
5NM5
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TUBULIN DARPIN ROOM-TEMPERATURE STRUCTURE IN COMPLEX WITH COLCHICINE DETERMINED BY SERIAL MILLISECOND CRYSTALLOGRAPHY
Descriptor:Tubulin alpha-1B chain, Tubulin beta-2B chain, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
Authors:Weinert, T., Olieric, N., James, D., Gashi, D., Nogly, P., Jaeger, K., Steinmetz, M.O., Standfuss, J.
Deposit date:2017-04-05
Release date:2017-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
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
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
5NQT
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TUBULIN DARPIN ROOM-TEMPERATURE STRUCTURE DETERMINED BY SERIAL MILLISECOND CRYSTALLOGRAPHY
Descriptor:Tubulin alpha-1B chain, Tubulin beta-2B chain, DESIGNED ANKYRIN REPEAT PROTEIN (DARPIN) D1, ...
Authors:Weinert, T., Olieric, N., James, D., Gashi, D., Nogly, P., Jaeger, K., Steinmetz, M.O., Standfuss, J.
Deposit date:2017-04-21
Release date:2017-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
5IUA
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CRYSTAL STRUCTURE OF STABILIZED A2A ADENOSINE RECEPTOR A2AR-STAR2-BRIL IN COMPLEX WITH COMPOUND 12B AT 2.2A RESOLUTION
Descriptor:Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, SODIUM ION, 2-(furan-2-yl)-N~5~-[3-(4-phenylpiperazin-1-yl)propyl][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:2017-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength.
J.Med.Chem., 59, 2016
6FFI
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CRYSTAL STRUCTURE OF MGLUR5 IN COMPLEX WITH MMPEP AT 2.2 A
Descriptor:Metabotropic glutamate receptor 5,Endolysin,Metabotropic glutamate receptor 5, OLEIC ACID, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Christopher, J.A., Orgovan, Z., Congreve, M., Dore, A.S., Errey, J.C., Marshall, F.H., Mason, J.S., Okrasa, K., Rucktooa, P., Serrano-Vega, M.J., Ferenczy, G.G., Keseru, G.M.
Deposit date:2018-01-08
Release date:2018-03-07
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Optimization Strategies for G Protein-Coupled Receptor (GPCR) Allosteric Modulators: A Case Study from Analyses of New Metabotropic Glutamate Receptor 5 (mGlu5) X-ray Structures.
J. Med. Chem., 2018
6HLP
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CRYSTAL STRUCTURE OF THE NEUROKININ 1 RECEPTOR IN COMPLEX WITH THE SMALL MOLECULE ANTAGONIST NETUPITANT
Descriptor:Substance-P receptor,Substance-P receptor, 2-[3,5-bis(trifluoromethyl)phenyl]-~{N},2-dimethyl-~{N}-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide, CITRIC ACID, ...
Authors:Schoppe, J., Ehrenmann, J., Klenk, C., Rucktooa, P., Schutz, M., Dore, A.S., Pluckthun, A.
Deposit date:2018-09-11
Release date:2019-01-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of the human neurokinin 1 receptor in complex with clinically used antagonists.
Nat Commun, 10, 2019
6HLO
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CRYSTAL STRUCTURE OF THE NEUROKININ 1 RECEPTOR IN COMPLEX WITH THE SMALL MOLECULE ANTAGONIST APREPITANT
Descriptor:Substance-P receptor,GlgA glycogen synthase,Substance-P receptor, 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one, CITRIC ACID, ...
Authors:Schoppe, J., Ehrenmann, J., Klenk, C., Rucktooa, P., Schutz, M., Dore, A.S., Pluckthun, A.
Deposit date:2018-09-11
Release date:2019-01-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of the human neurokinin 1 receptor in complex with clinically used antagonists.
Nat Commun, 10, 2019
5EE7
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CRYSTAL STRUCTURE OF THE HUMAN GLUCAGON RECEPTOR (GCGR) IN COMPLEX WITH THE ANTAGONIST MK-0893
Descriptor:Glucagon receptor,Endolysin,Glucagon receptor, 3-[[4-[(1~{S})-1-[3-[3,5-bis(chloranyl)phenyl]-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]carbonylamino]propanoic acid, OLEIC ACID, ...
Authors:Jazayeri, A., Dore, A.S., Lamb, D., Krishnamurthy, H., Southall, S.M., Baig, A.H., Bortolato, A., Koglin, M., Robertson, N.J., Errey, J.C., Andrews, S.P., Brown, A.J.H., Cooke, R.M., Weir, M., Marshall, F.H.
Deposit date:2015-10-22
Release date:2016-04-20
Last modified:2016-05-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Extra-helical binding site of a glucagon receptor antagonist.
Nature, 533, 2016
6FJ3
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HIGH RESOLUTION CRYSTAL STRUCTURE OF PARATHYROID HORMONE 1 RECEPTOR IN COMPLEX WITH A PEPTIDE AGONIST.
Descriptor:Parathyroid hormone/parathyroid hormone-related peptide receptor,Parathyroid hormone/parathyroid hormone-related peptide receptor,GlgA glycogen synthase,Parathyroid hormone/parathyroid hormone-related peptide receptor, Parathyroid hormone, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Ehrenmann, J., Schoppe, J., Klenk, C., Rappas, M., Kummer, L., Dore, A.S., Pluckthun, A.
Deposit date:2018-01-19
Release date:2018-11-21
Last modified:2018-12-19
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:High-resolution crystal structure of parathyroid hormone 1 receptor in complex with a peptide agonist.
Nat. Struct. Mol. Biol., 25, 2018
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