Author results

2WTX
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INSIGHT INTO THE MECHANISM OF ENZYMATIC GLYCOSYLTRANSFER WITH RETENTION THROUGH THE SYNTHESIS AND ANALYSIS OF BISUBSTRATE GLYCOMIMETICS OF TREHALOSE-6-PHOSPHATE SYNTHASE
Descriptor:ALPHA, ALPHA-TREHALOSE-PHOSPHATE SYNTHASE [UDP-FORMING], 1,2-ETHANEDIOL, ...
Authors:Errey, J.C., Lee, S.S., Gibson, R.P., Martinez-Fleites, C., Barry, C.S., Jung, P.M.J., OSullivan, A., Davis, B.G., Davies, G.J.
Deposit date:2009-09-25
Release date:2010-02-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mechanistic Insight Into Enzymatic Glycosyl Transfer with Retention of Configuration Through Analysis of Glycomimetic Inhibitors.
Angew.Chem.Int.Ed.Engl., 49, 2010
5CGC
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STRUCTURE OF THE HUMAN CLASS C GPCR METABOTROPIC GLUTAMATE RECEPTOR 5 TRANSMEMBRANE DOMAIN IN COMPLEX WITH THE NEGATIVE ALLOSTERIC MODULATOR 3-CHLORO-4-FLUORO-5-[6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-YL]BENZONITRILE
Descriptor:Metabotropic glutamate receptor 5,Endolysin,Metabotropic glutamate receptor 5, OLEIC ACID, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Christopher, J.A., Aves, S.J., Bennett, K.A., Dore, A.S., Errey, J.C., Jazayeri, A., Marshall, F.H., Okrasa, K., Serrano-Vega, M.J., Tehan, B.G., Wiggin, G.R., Congreve, M.
Deposit date:2015-07-09
Release date:2015-08-12
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (3.101 Å)
Cite:Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile).
J.Med.Chem., 58, 2015
5CGD
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STRUCTURE OF THE HUMAN CLASS C GPCR METABOTROPIC GLUTAMATE RECEPTOR 5 TRANSMEMBRANE DOMAIN IN COMPLEX WITH THE NEGATIVE ALLOSTERIC MODULATOR 3-CHLORO-5-[6-(5-FLUOROPYRIDIN-2-YL)PYRIMIDIN-4-YL]BENZONITRILE - (HTL14242)
Descriptor:Metabotropic glutamate receptor 5,Endolysin,Metabotropic glutamate receptor 5, OLEIC ACID, 3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile
Authors:Christopher, J.A., Aves, S.J., Bennett, K.A., Dore, A.S., Errey, J.C., Jazayeri, A., Marshall, F.H., Okrasa, K., Serrano-Vega, M.J., Tehan, B.G., Wiggin, G.R., Congreve, M.
Deposit date:2015-07-09
Release date:2015-08-12
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.603 Å)
Cite:Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile).
J.Med.Chem., 58, 2015
4OO9
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STRUCTURE OF THE HUMAN CLASS C GPCR METABOTROPIC GLUTAMATE RECEPTOR 5 TRANSMEMBRANE DOMAIN IN COMPLEX WITH THE NEGATIVE ALLOSTERIC MODULATOR MAVOGLURANT
Descriptor:Metabotropic glutamate receptor 5, Lysozyme, Metabotropic glutamate receptor 5 chimera, ...
Authors:Dore, A.S., Okrasa, K., Patel, J.C., Serrano-Vega, M., Bennett, K., Cooke, R.M., Errey, J.C., Jazayeri, A., Khan, S., Tehan, B., Weir, M., Wiggin, G.R., Marshall, F.H.
Deposit date:2014-01-31
Release date:2014-07-02
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of class C GPCR metabotropic glutamate receptor 5 transmembrane domain.
Nature, 511, 2014
6TO7
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CRYSTAL STRUCTURE OF THE OREXIN-1 RECEPTOR IN COMPLEX WITH SUVOREXANT AT 2.29 A RESOLUTION
Descriptor:Orexin receptor type 1, [(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone, TETRAETHYLENE GLYCOL, ...
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 (2.26 Å)
Cite:Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 2020
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
6TOS
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CRYSTAL STRUCTURE OF THE OREXIN-1 RECEPTOR IN COMPLEX WITH GSK1059865
Descriptor:Orexin receptor type 1, [(2~{S},5~{S})-2-[[(5-bromanylpyridin-2-yl)amino]methyl]-5-methyl-piperidin-1-yl]-(3-fluoranyl-2-methoxy-phenyl)methanone, TETRAETHYLENE GLYCOL, ...
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:2020-01-15
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 2020
6TOT
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CRYSTAL STRUCTURE OF THE OREXIN-1 RECEPTOR IN COMPLEX WITH LEMBOREXANT
Descriptor:Orexin receptor type 1, (1~{R},2~{S})-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-~{N}-(5-fluoranylpyridin-2-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide, TETRAETHYLENE GLYCOL, ...
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:2020-01-15
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 2020
6TP3
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CRYSTAL STRUCTURE OF THE OREXIN-1 RECEPTOR IN COMPLEX WITH DARIDOREXANT
Descriptor:Orexin receptor type 1, [(2~{S})-2-(6-chloranyl-7-methyl-1~{H}-benzimidazol-2-yl)-2-methyl-pyrrolidin-1-yl]-[5-methoxy-2-(1,2,3-triazol-2-yl)phenyl]methanone, 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:2019-12-12
Release date:2020-01-01
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 2020
6TP4
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CRYSTAL STRUCTURE OF THE OREXIN-1 RECEPTOR IN COMPLEX WITH ACT-462206
Descriptor:Orexin receptor type 1, (2~{S})-~{N}-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide, 2-HYDROXYMETHYL-6-OCTYLSULFANYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL, ...
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:2020-01-29
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., 2020
6TP6
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CRYSTAL STRUCTURE OF THE OREXIN-1 RECEPTOR IN COMPLEX WITH FILOREXANT
Descriptor:Orexin receptor type 1, [(2~{R},5~{R})-5-[(5-fluoranylpyridin-2-yl)oxymethyl]-2-methyl-piperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-phenyl)methanone, TETRAETHYLENE GLYCOL, ...
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:2020-01-29
Method:X-RAY DIFFRACTION (2.338 Å)
Cite:Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 2020
6TPG
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CRYSTAL STRUCTURE OF THE OREXIN-2 RECEPTOR IN COMPLEX WITH EMPA AT 2.74 A RESOLUTION
Descriptor:Orexin receptor type 2,GlgA glycogen synthase,Hypocretin receptor-2, N-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide, TETRAETHYLENE GLYCOL, ...
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:2019-12-13
Release date:2020-01-01
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.741 Å)
Cite:Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 2020
6TPJ
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CRYSTAL STRUCTURE OF THE OREXIN-2 RECEPTOR IN COMPLEX WITH SUVOREXANT AT 2.76 A RESOLUTION
Descriptor:Orexin receptor type 2,GlgA glycogen synthase,Hypocretin receptor-2, OLEIC ACID, [(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone, ...
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:2019-12-13
Release date:2020-01-01
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 2020
6TPN
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CRYSTAL STRUCTURE OF THE OREXIN-2 RECEPTOR IN COMPLEX WITH HTL6641 AT 2.61 A RESOLUTION
Descriptor:Orexin receptor type 2,GlgA glycogen synthase,Orexin receptor type 2, 2-(5,6-dimethoxypyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one, NITRATE 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:2019-12-13
Release date:2020-01-01
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.608 Å)
Cite:Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 2020
6TQ4
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CRYSTAL STRUCTURE OF THE OREXIN-1 RECEPTOR IN COMPLEX WITH COMPOUND 16
Descriptor:Orexin receptor type 1, 2-[1-(phenylsulfonyl)-1,8-diazaspiro[4.5]decan-8-yl]-1,3-benzoxazole, 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:2019-12-16
Release date:2020-01-01
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 2020
6TQ6
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CRYSTAL STRUCTURE OF THE OREXIN-1 RECEPTOR IN COMPLEX WITH COMPOUND 14
Descriptor:Orexin receptor type 1, 2-(5-methylsulfonylpyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one, 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:2019-12-16
Release date:2020-01-01
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.546 Å)
Cite:Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 2020
6TQ7
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CRYSTAL STRUCTURE OF THE OREXIN-1 RECEPTOR IN COMPLEX WITH SB-334867
Descriptor:Orexin receptor type 1, 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea, 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:2019-12-16
Release date:2020-01-01
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.6636 Å)
Cite:Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 2020
6TQ9
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CRYSTAL STRUCTURE OF THE OREXIN-1 RECEPTOR IN COMPLEX WITH SB-408124
Descriptor:Orexin receptor type 1, 1-[6,8-bis(fluoranyl)-2-methyl-quinolin-4-yl]-3-[4-(dimethylamino)phenyl]urea, 2-HYDROXYMETHYL-6-OCTYLSULFANYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL, ...
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:2019-12-16
Release date:2020-01-01
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.655 Å)
Cite:Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 2020
2VZY
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CRYSTAL STRUCTURE OF RV0802C FROM MYCOBACTERIUM TUBERCULOSIS IN AN UNLIGANDED FORM.
Descriptor:RV0802C, ACETATE ION, SULFATE ION, ...
Authors:Vetting, M.W., Errey, J.C., Blanchard, J.S.
Deposit date:2008-08-07
Release date:2009-04-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rv0802C from Mycobacterium Tuberculosis: The First Structure of a Succinyltransferase with the Gnat Fold.
Acta Crystallogr.,Sect.F, 64, 2008
2VZZ
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CRYSTAL STRUCTURE OF RV0802C FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH SUCCINYL-COA
Descriptor:RV0802C, SUCCINYL-COENZYME A
Authors:Vetting, M.W., Errey, J.C., Blanchard, J.S.
Deposit date:2008-08-07
Release date:2009-04-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Rv0802C from Mycobacterium Tuberculosis: The First Structure of a Succinyltransferase with the Gnat Fold.
Acta Crystallogr.,Sect.F, 64, 2008
3PWH
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THERMOSTABILISED ADENOSINE A2A RECEPTOR
Descriptor: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
Authors:Dore, A.S., Robertson, N., Errey, J.C., Ng, I., Tehan, B., Hurrell, E., Magnani, F., Tate, C.G., Weir, M., Marshall, F.H.
Deposit date:2010-12-08
Release date:2011-09-07
Last modified:2012-06-20
Method:X-RAY DIFFRACTION (3.296 Å)
Cite:Structure of the adenosine A(2A) receptor in complex with ZM241385 and the xanthines XAC and caffeine
Structure, 19, 2011
3REY
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THERMOSTABILISED ADENOSINE A2A RECEPTOR IN COMPLEX WITH XAC
Descriptor:Adenosine receptor A2a, N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy]acetamide
Authors:Dore, A.S., Robertson, N., Errey, J.C., Ng, I., Hollenstein, K., Tehan, B., Hurrell, E., Bennett, K., Congreve, M., Magnani, F., Tate, C.G., Weir, M., Marshall, F.H.
Deposit date:2011-04-05
Release date:2011-09-07
Last modified:2012-06-20
Method:X-RAY DIFFRACTION (3.309 Å)
Cite:Structure of the adenosine A(2A) receptor in complex with ZM241385 and the xanthines XAC and caffeine
Structure, 19, 2011
3RFM
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THERMOSTABILISED ADENOSINE A2A RECEPTOR IN COMPLEX WITH CAFFEINE
Descriptor:Adenosine receptor A2a, CAFFEINE
Authors:Dore, A.S., Robertson, N., Errey, J.C., Ng, I., Hollenstein, K., Tehan, B., Hurrell, E., Bennett, K., Congreve, M., Magnani, F., Tate, C.G., Weir, M., Marshall, F.H.
Deposit date:2011-04-06
Release date:2011-09-07
Last modified:2012-06-20
Method:X-RAY DIFFRACTION (3.598 Å)
Cite:Structure of the adenosine A(2A) receptor in complex with ZM241385 and the xanthines XAC and caffeine
Structure, 19, 2011
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
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
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