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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:2015-12-16
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:2015-12-16
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
6FFH
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CRYSTAL STRUCTURE OF MGLUR5 IN COMPLEX WITH FENOBAM AT 2.65 A
Descriptor:Metabotropic glutamate receptor 5,Endolysin, 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 (2.65 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
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
2WAJ
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CRYSTAL STRUCTURE OF HUMAN JNK3 COMPLEXED WITH A 1-ARYL-3,4- DIHYDROISOQUINOLINE INHIBITOR
Descriptor:MITOGEN-ACTIVATED PROTEIN KINASE 10, 1-(3-BROMOPHENYL)-7-CHLORO-6-METHOXY-3,4-DIHYDROISOQUINOLINE
Authors:Bax, B.D., Christopher, J.A., Jones, E.J., Mosley, J.E.
Deposit date:2009-02-08
Release date:2009-03-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:1-Aryl-3,4-Dihydroisoquinoline Inhibitors of Jnk3.
Bioorg.Med.Chem.Lett., 19, 2009
1MDO
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CRYSTAL STRUCTURE OF ARNB AMINOTRANSFERASE WITH PYRIDOMINE 5' PHOSPHATE
Descriptor:ArnB aminotransferase, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE
Authors:Noland, B.W., Newman, J.M., Hendle, J., Badger, J., Christopher, J.A., Tresser, J., Buchanan, M.D., Wright, T., Rutter, M.E., Sanderson, W.E., Muller-Dieckmann, H.-J., Gajiwala, K., Sauder, J.M., Buchanan, S.G.
Deposit date:2002-08-07
Release date:2002-12-11
Last modified:2018-12-26
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural studies of Salmonella typhimurium ArnB (PmrH) aminotransferase: A 4-amino-4-deoxy-L-arabinose lipopolysaccharide modifying enzyme
Structure, 10, 2002
1MDX
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CRYSTAL STRUCTURE OF ARNB TRANSFERASE WITH PYRIDOXAL 5' PHOSPHATE
Descriptor:ArnB aminotransferase, PYRIDOXAL-5'-PHOSPHATE, 2-OXOGLUTARIC ACID, ...
Authors:Noland, B.W., Newman, J.M., Hendle, J., Badger, J., Christopher, J.A., Tresser, J., Buchanan, M.D., Wright, T.A., Rutter, M.E., Sanderson, W.E., Muller-Dieckmann, H.-J., Gajiwala, K.S., Sauder, J.M., Buchanan, S.G.
Deposit date:2002-08-07
Release date:2002-12-11
Last modified:2018-12-26
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural studies of Salmonella typhimurium ArnB (PmrH) aminotransferase: A 4-amino-4-deoxy-L-arabinose lipopolysaccharide modifying enzyme
Structure, 10, 2002
1MDZ
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CRYSTAL STRUCTURE OF ARNB AMINOTRANSFERASE WITH CYCLOSERINE AND PYRIDOXAL 5' PHOSPHATE
Descriptor:ArnB aminotransferase, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE, PYRIDOXAL-5'-PHOSPHATE
Authors:Noland, B.W., Newman, J.M., Hendle, J., Badger, J., Christopher, J.A., Tresser, J., Buchanan, M.D., Wright, T., Rutter, M.E., Sanderson, W.E., Muller-Dieckmann, H.-J., Gajiwala, K.S., Sauder, J.M., Buchanan, S.G.
Deposit date:2002-08-07
Release date:2002-12-11
Last modified:2018-12-26
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural studies of Salmonella typhimurium ArnB (PmrH) aminotransferase: A 4-amino-4-deoxy-L-arabinose lipopolysaccharide modifying enzyme
Structure, 10, 2002
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
3ZPQ
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THERMOSTABILISED TURKEY BETA1 ADRENERGIC RECEPTOR WITH 4-(PIPERAZIN-1- YL)-1H-INDOLE BOUND (COMPOUND 19)
Descriptor:BETA-1 ADRENERGIC RECEPTOR, CHOLESTEROL HEMISUCCINATE, HEGA-10, ...
Authors:Christopher, J.A., Congreve, M., Dore, A.S., Marshall, F.H., Myszka, D.G., Brown, J., Koglin, M., Tehan, B., Errey, J.C., Tate, C.G., Warne, T.
Deposit date:2013-03-01
Release date:2013-04-03
Last modified:2013-05-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Biophysical Fragment Screening of the Beta1-Adrenergic Receptor: Identification of High Affinity Aryl Piperazine Leads Using Structure-Based Drug Design.
J.Med.Chem., 56, 2013
3ZPR
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THERMOSTABILISED TURKEY BETA1 ADRENERGIC RECEPTOR WITH 4-METHYL-2-(PIPERAZIN-1-YL) QUINOLINE BOUND
Descriptor:BETA-1 ADRENERGIC RECEPTOR, SODIUM ION, CHOLESTEROL HEMISUCCINATE, ...
Authors:Christopher, J.A., Congreve, M., Dore, A.S., Marshall, F.H., Myszka, D.G., Brown, J., Koglin, M., Tehan, B., Errey, J.C., Tate, C.G., Warne, T.
Deposit date:2013-03-01
Release date:2013-04-03
Last modified:2013-05-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Biophysical Fragment Screening of the Beta1-Adrenergic Receptor: Identification of High Affinity Aryl Piperazine Leads Using Structure-Based Drug Design.
J.Med.Chem., 56, 2013
1VHN
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CRYSTAL STRUCTURE OF A PUTATIVE FLAVIN OXIDOREDUCTASE WITH FLAVIN
Descriptor:putative flavin oxidoreductase, SULFATE ION, FLAVIN MONONUCLEOTIDE
Authors:Structural GenomiX
Deposit date:2003-12-01
Release date:2003-12-30
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:The 1.59 A resolution crystal structure of TM0096, a flavin mononucleotide binding protein from Thermotoga maritima.
Proteins, 55, 2004
1VI7
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CRYSTAL STRUCTURE OF AN HYPOTHETICAL PROTEIN
Descriptor:Hypothetical protein yigZ
Authors:Structural GenomiX
Deposit date:2003-12-01
Release date:2003-12-30
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of YIGZ, a conserved hypothetical protein from Escherichia coli k12 with a novel fold
Proteins, 55, 2004
1O60
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CRYSTAL STRUCTURE OF KDO-8-PHOSPHATE SYNTHASE
Descriptor:2-dehydro-3-deoxyphosphooctonate aldolase
Authors:Structural GenomiX
Deposit date:2003-10-23
Release date:2003-11-11
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1O61
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CRYSTAL STRUCTURE OF A PLP-DEPENDENT ENZYME WITH PLP
Descriptor:aminotransferase, ACETATE ION, PYRIDOXAL-5'-PHOSPHATE
Authors:Structural GenomiX
Deposit date:2003-10-23
Release date:2003-11-11
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1O62
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CRYSTAL STRUCTURE OF THE APO FORM OF A PLP-DEPENDENT ENZYME
Descriptor:aminotransferase, ACETATE ION, BETA-MERCAPTOETHANOL
Authors:Structural GenomiX
Deposit date:2003-10-23
Release date:2003-11-11
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project.
Proteins, 60, 2005
1O63
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CRYSTAL STRUCTURE OF AN ATP PHOSPHORIBOSYLTRANSFERASE
Descriptor:ATP phosphoribosyltransferase
Authors:Structural GenomiX
Deposit date:2003-10-23
Release date:2003-11-11
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1O64
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CRYSTAL STRUCTURE OF AN ATP PHOSPHORIBOSYLTRANSFERASE
Descriptor:ATP phosphoribosyltransferase, PHOSPHATE ION
Authors:Structural GenomiX
Deposit date:2003-10-23
Release date:2003-11-11
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1O65
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CRYSTAL STRUCTURE OF AN HYPOTHETICAL PROTEIN
Descriptor:Hypothetical protein yiiM
Authors:Structural GenomiX
Deposit date:2003-10-23
Release date:2003-11-11
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1O66
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CRYSTAL STRUCTURE OF 3-METHYL-2-OXOBUTANOATE HYDROXYMETHYLTRANSFERASE
Descriptor:3-methyl-2-oxobutanoate hydroxymethyltransferase, GLYCEROL
Authors:Structural GenomiX
Deposit date:2003-10-23
Release date:2003-11-11
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1O67
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CRYSTAL STRUCTURE OF AN HYPOTHETICAL PROTEIN
Descriptor:Hypothetical protein yiiM
Authors:Structural GenomiX
Deposit date:2003-10-23
Release date:2003-11-11
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1O68
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CRYSTAL STRUCTURE OF 3-METHYL-2-OXOBUTANOATE HYDROXYMETHYLTRANSFERASE
Descriptor:3-methyl-2-oxobutanoate hydroxymethyltransferase, SODIUM ION, 3-METHYL-2-OXOBUTANOIC ACID
Authors:Structural GenomiX
Deposit date:2003-10-23
Release date:2003-11-11
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1O69
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CRYSTAL STRUCTURE OF A PLP-DEPENDENT ENZYME
Descriptor:aminotransferase, (2-AMINO-4-FORMYL-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, BETA-MERCAPTOETHANOL
Authors:Structural GenomiX
Deposit date:2003-10-23
Release date:2003-11-11
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1O6B
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CRYSTAL STRUCTURE OF PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE WITH ADP
Descriptor:Phosphopantetheine adenylyltransferase, PHOSPHATE ION, MAGNESIUM ION, ...
Authors:Structural GenomiX
Deposit date:2003-11-03
Release date:2003-11-25
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1O6C
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CRYSTAL STRUCTURE OF UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE
Descriptor:UDP-N-acetylglucosamine 2-epimerase
Authors:Structural GenomiX
Deposit date:2003-11-03
Release date:2003-11-25
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005