Author results

4ZAR
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CRYSTAL STRUCTURE OF PROTEINASE K FROM ENGYODONTIUM ALBUMINHIBITED BY METHOXYSUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE AT 1.15 A RESOLUTION
Descriptor:Proteinase K, METHOXYSUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE, bound form, ...
Authors:Sawaya, M.R., Cascio, D., Collazo, M., Bond, C., Cohen, A., DeNicola, A., Eden, K., Jain, K., Leung, C., Lubock, N., McCormick, J., Rosinski, J., Spiegelman, L., Athar, Y., Tibrewal, N., Winter, J., Solomon, S.
Deposit date:2015-04-14
Release date:2015-05-06
Last modified:2018-04-11
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal Structure of Proteinase K from Engyodontium album inhibited by METHOXYSUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE at 1.15 A resolution
to be published
4D4J
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HUMAN PFKFB3 IN COMPLEX WITH A PYRROLOPYRIMIDONE COMPOUND
Descriptor:6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, PHOSPHATE ION, PHOSPHONIC ACID, ...
Authors:Stgallay, S.A., Bennett, N., Critchlow, S., Davies, G., Debreczeni, J.E., Evans, N., Holdgate, G., Jones, N.P., Leach, L., Maman, S., McLoughlin, S., Preston, M., Rigoreau, L., Thomas, A., Walker, G., Walsch, J., Ward, R.A., Wheatley, E., Winter, J.
Deposit date:2014-10-29
Release date:2016-01-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Identifying a Novel Series of Pfkfb3 Inhibitors as a Metabolic Approach to Treating Cancer from Hts, Biophysical and Biochemical Methods
To be Published
4D4K
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HUMAN PFKFB3 IN COMPLEX WITH A PYRROLOPYRIMIDONE COMPOUND
Descriptor:6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, PHOSPHONIC ACID, PHOSPHATE ION, ...
Authors:Stgallay, S.A., Bennett, N., Critchlow, S., Davies, G., Debreczeni, J.E., Evans, N., Holdgate, G., Jones, N.P., Leach, L., Maman, S., McLoughlin, S., Preston, M., Rigoreau, L., Thomas, A., Walker, G., Walsch, J., Ward, R.A., Wheatley, E., Winter, J.
Deposit date:2014-10-29
Release date:2016-01-20
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Identifying a Novel Series of Pfkfb3 Inhibitors as a Metabolic Approach to Treating Cancer from Hts, Biophysical and Biochemical Methods
To be Published
4D4L
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HUMAN PFKFB3 IN COMPLEX WITH A PYRROLOPYRIMIDONE COMPOUND
Descriptor:6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, PHOSPHONIC ACID, PHOSPHATE ION, ...
Authors:Stgallay, S.A., Bennett, N., Critchlow, S., Davies, G., Debreczeni, J.E., Evans, N., Holdgate, G., Jones, N.P., Leach, L., Maman, S., McLoughlin, S., Preston, M., Rigoreau, L., Thomas, A., Walker, G., Walsch, J., Ward, R.A., Wheatley, E., Winter, J.
Deposit date:2014-10-29
Release date:2016-01-20
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Identifying a Novel Series of Pfkfb3 Inhibitors as a Metabolic Approach to Treating Cancer from Hts, Biophysical and Biochemical Methods
To be Published
4D4M
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HUMAN PFKFB3 IN COMPLEX WITH A PYRROLOPYRIMIDONE COMPOUND
Descriptor:6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, PHOSPHATE ION, PHOSPHONIC ACID, ...
Authors:Stgallay, S.A., Bennett, N., Critchlow, S., Davies, G., Debreczeni, J.E., Evans, N., Holdgate, G., Jones, N.P., Leach, L., Maman, S., McLoughlin, S., Preston, M., Rigoreau, L., Thomas, A., Walker, G., Walsch, J., Ward, R.A., Wheatley, E., Winter, J.
Deposit date:2014-10-29
Release date:2016-01-20
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Identifying a Novel Series of Pfkfb3 Inhibitors as a Metabolic Approach to Treating Cancer from Hts, Biophysical and Biochemical Methods
To be Published
5AJV
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HUMAN PFKFB3 IN COMPLEX WITH AN INDOLE INHIBITOR 1
Descriptor:HUMAN PFKFB3, PHOSPHATE ION, (2S)-2-amino-N-[4-[(2-amino-3-cyano-1H-indol-5-yl)oxy]phenyl]-3-hydroxy-propanamide, ...
Authors:Boyd, S., Brookfield, J.L., Critchlow, S.E., Cumming, I.A., Curtis, N.J., Debreczeni, J.E., Degorce, S.L., Donald, C., Evans, N.J., Groombridge, S., Hopcroft, P., Jones, N.P., Kettle, J.G., Lamont, S., Lewis, H.J., MacFaull, P., McLoughlin, S.B., Rigoreau, L.J.M., Smith, J.M., St-Gallay, S., Stock, J.K., Wheatley, E.R., Winter, J., Wingfield, J.
Deposit date:2015-02-27
Release date:2015-04-22
Last modified:2015-05-13
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
5AJW
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HUMAN PFKFB3 IN COMPLEX WITH AN INDOLE INHIBITOR 2
Descriptor:6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, PHOSPHONIC ACID, PHOSPHATE ION, ...
Authors:Boyd, S., Brookfield, J.L., Critchlow, S.E., Cumming, I.A., Curtis, N.J., Debreczeni, J.E., Degorce, S.L., Donald, C., Evans, N.J., Groombridge, S., Hopcroft, P., Jones, N.P., Kettle, J.G., Lamont, S., Lewis, H.J., MacFaull, P., McLoughlin, S.B., Rigoreau, L.J.M., Smith, J.M., St-Gallay, S., Stock, J.K., Wheatley, E.R., Winter, J., Wingfield, J.
Deposit date:2015-02-27
Release date:2015-04-22
Last modified:2015-05-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
5AJX
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HUMAN PFKFB3 IN COMPLEX WITH AN INDOLE INHIBITOR 3
Descriptor:6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, PHOSPHONIC ACID, PHOSPHATE ION, ...
Authors:Boyd, S., Brookfield, J.L., Critchlow, S.E., Cumming, I.A., Curtis, N.J., Debreczeni, J.E., Degorce, S.L., Donald, C., Evans, N.J., Groombridge, S., Hopcroft, P., Jones, N.P., Kettle, J.G., Lamont, S., Lewis, H.J., MacFaull, P., McLoughlin, S.B., Rigoreau, L.J.M., Smith, J.M., St-Gallay, S., Stock, J.K., Wheatley, E.R., Winter, J., Wingfield, J.
Deposit date:2015-02-27
Release date:2015-04-22
Last modified:2015-05-13
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
5AJY
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HUMAN PFKFB3 IN COMPLEX WITH AN INDOLE INHIBITOR 4
Descriptor:6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, PHOSPHONIC ACID, PHOSPHATE ION, ...
Authors:Boyd, S., Brookfield, J.L., Critchlow, S.E., Cumming, I.A., Curtis, N.J., Debreczeni, J.E., Degorce, S.L., Donald, C., Evans, N.J., Groombridge, S., Hopcroft, P., Jones, N.P., Kettle, J.G., Lamont, S., Lewis, H.J., MacFaull, P., McLoughlin, S.B., Rigoreau, L.J.M., Smith, J.M., St-Gallay, S., Stock, J.K., Wheatley, E.R., Winter, J., Wingfield, J.
Deposit date:2015-02-27
Release date:2015-04-22
Last modified:2015-05-13
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
5AJZ
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HUMAN PFKFB3 IN COMPLEX WITH AN INDOLE INHIBITOR 5
Descriptor:6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, PHOSPHONIC ACID, FRUCTOSE-6-PHOSPHATE, ...
Authors:Boyd, S., Brookfield, J.L., Critchlow, S.E., Cumming, I.A., Curtis, N.J., Debreczeni, J.E., Degorce, S.L., Donald, C., Evans, N.J., Groombridge, S., Hopcroft, P., Jones, N.P., Kettle, J.G., Lamont, S., Lewis, H.J., MacFaull, P., McLoughlin, S.B., Rigoreau, L.J.M., Smith, J.M., St-Gallay, S., Stock, J.K., Wheatley, E.R., Winter, J., Wingfield, J.
Deposit date:2015-02-27
Release date:2015-04-22
Last modified:2015-05-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
5AK0
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HUMAN PFKFB3 IN COMPLEX WITH AN INDOLE INHIBITOR 6
Descriptor:6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, PHOSPHONIC ACID, PHOSPHATE ION, ...
Authors:Boyd, S., Brookfield, J.L., Critchlow, S.E., Cumming, I.A., Curtis, N.J., Debreczeni, J.E., Degorce, S.L., Donald, C., Evans, N.J., Groombridge, S., Hopcroft, P., Jones, N.P., Kettle, J.G., Lamont, S., Lewis, H.J., MacFaull, P., McLoughlin, S.B., Rigoreau, L.J.M., Smith, J.M., St-Gallay, S., Stock, J.K., Wheatley, E.R., Winter, J., Wingfield, J.
Deposit date:2015-02-27
Release date:2015-04-22
Last modified:2015-05-13
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
1Q40
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CRYSTAL STRUCTURE OF THE C. ALBICANS MTR2-MEX67 M DOMAIN COMPLEX
Descriptor:MRNA TRANSPORT REGULATOR Mtr2, mRNA export factor MEX67, GLYCEROL
Authors:Senay, C., Ferrari, P., Rocher, C., Rieger, K.J., Winter, J., Platel, D., Bourne, Y.
Deposit date:2003-08-01
Release date:2003-12-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The mtr2-mex67 ntf2-like domain complex: Structural insights into a dual role of MTR2 for yeast nuclear export
J.Biol.Chem., 278, 2003
1Q42
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CRYSTAL STRUCTURE ANALYSIS OF THE CANDIDA ALBICANS MTR2
Descriptor:MRNA TRANSPORT REGULATOR Mtr2
Authors:Senay, C., Ferrari, P., Rocher, C., Rieger, K.J., Winter, J., Platel, D., Bourne, Y.
Deposit date:2003-08-01
Release date:2003-12-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The mtr2-mex67 ntf2-like domain complex: Structural insights into a dual role of MTR2 for yeast nuclear export
J.Biol.Chem., 278, 2003
4URV
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THE CRYSTAL STRUCTURE OF H-RAS AND SOS IN COMPLEX WITH LIGANDS
Descriptor:GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1, FORMIC ACID, ...
Authors:Winter, J.J.G., Anderson, M., Blades, K., Brassington, C., Breeze, A.L., Chresta, C., Embrey, K., Fairley, G., Faulder, P., Finlay, M.R.V., Kettle, J.G., Nowak, T., Overman, R., Patel, S.J., Perkins, P., Spadola, L., Tart, J., Tucker, J., Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2015-03-25
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4URW
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THE CRYSTAL STRUCTURE OF H-RAS AND SOS IN COMPLEX WITH LIGANDS
Descriptor:GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1, 2-(2,6-DIMETHYLPHENYL)-4-(METHYLSULFANYL)-6-(PIPERAZIN-1-YL)-1,3,5-TRIAZINE
Authors:Winter, J.J.G., Anderson, M., Blades, K., Brassington, C., Breeze, A.L., Chresta, C., Embrey, K., Fairley, G., Faulder, P., Finlay, M.R.V., Kettle, J.G., Nowak, T., Overman, R., Patel, S.J., Perkins, P., Spadola, L., Tart, J., Tucker, J., Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2015-03-25
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4URX
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THE CRYSTAL STRUCTURE OF H-RAS AND SOS IN COMPLEX WITH LIGANDS
Descriptor:GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1, 6-bromo-1H-indole, ...
Authors:Winter, J.J.G., Anderson, M., Blades, K., Brassington, C., Breeze, A.L., Chresta, C., Embrey, K., Fairley, G., Faulder, P., Finlay, M.R.V., Kettle, J.G., Nowak, T., Overman, R., Patel, S.J., Perkins, P., Spadola, L., Tart, J., Tucker, J., Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2015-03-25
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4URY
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THE CRYSTAL STRUCTURE OF H-RAS AND SOS IN COMPLEX WITH LIGANDS
Descriptor:GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1, N-[(4-aminophenyl)sulfonyl]cyclopropanecarboxamide
Authors:Winter, J.J.G., Anderson, M., Blades, K., Brassington, C., Breeze, A.L., Chresta, C., Embrey, K., Fairley, G., Faulder, P., Finlay, M.R.V., Kettle, J.G., Nowak, T., Overman, R., Patel, S.J., Perkins, P., Spadola, L., Tart, J., Tucker, J., Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2015-03-25
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4URZ
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THE CRYSTAL STRUCTURE OF H-RAS AND SOS IN COMPLEX WITH LIGANDS
Descriptor:GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1, 1-[(4-aminophenyl)sulfonyl]piperidin-2-one
Authors:Winter, J.J.G., Anderson, M., Blades, K., Brassington, C., Breeze, A.L., Chresta, C., Embrey, K., Fairley, G., Faulder, P., Finlay, M.R.V., Kettle, J.G., Nowak, T., Overman, R., Patel, S.J., Perkins, P., Spadola, L., Tart, J., Tucker, J., Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2015-03-25
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4US0
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THE CRYSTAL STRUCTURE OF H-RAS AND SOS IN COMPLEX WITH LIGANDS
Descriptor:GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1, N-ETHYLMALEIMIDE
Authors:Winter, J.J.G., Anderson, M., Blades, K., Brassington, C., Breeze, A.L., Chresta, C., Embrey, K., Fairley, G., Faulder, P., Finlay, M.R.V., Kettle, J.G., Nowak, T., Overman, R., Patel, S.J., Perkins, P., Spadola, L., Tart, J., Tucker, J., Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2016-01-13
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4US1
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THE CRYSTAL STRUCTURE OF H-RAS AND SOS IN COMPLEX WITH LIGANDS
Descriptor:GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1, (3S)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione
Authors:Winter, J.J.G., Anderson, M., Blades, K., Brassington, C., Breeze, A.L., Chresta, C., Embrey, K., Fairley, G., Faulder, P., Finlay, M.R.V., Kettle, J.G., Nowak, T., Overman, R., Patel, S.J., Perkins, P., Spadola, L., Tart, J., Tucker, J., Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2015-03-25
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4US2
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THE CRYSTAL STRUCTURE OF H-RAS AND SOS IN COMPLEX WITH LIGANDS
Descriptor:GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1, 3-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide
Authors:Winter, J.J.G., Anderson, M., Blades, K., Brassington, C., Breeze, A.L., Chresta, C., Embrey, K., Fairley, G., Faulder, P., Finlay, M.R.V., Kettle, J.G., Nowak, T., Overman, R., Patel, S.J., Perkins, P., Spadola, L., Tart, J., Tucker, J., Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2015-03-25
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4AJH
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RAT LDHA IN COMPLEX WITH N-(2-METHYL-1,3-BENZOTHIAZOL-6-YL)-3-UREIDO- PROPANAMIDE AND 2-(4-BROMOPHENOXY)PROPANEDIOIC ACID
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, MALONATE ION, N-(2-METHYL-1,3-BENZOTHIAZOL-6-YL)-3-UREIDO-PROPANAMIDE, ...
Authors:Tucker, J.A., Brassington, C., Hassall, G., Watson, M., Ward, R., Tart, J., Davies, G., Greenwood, R., Pearson, S., Debreczeni, J.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJI
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RAT LDHA IN COMPLEX WITH 2-((3,4-DIMETHOXYPHENYL)METHYL))PROPANEDIOIC ACID
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, 2-((3,4-DIMETHOXYPHENYL)METHYL))PROPANEDIOIC ACID
Authors:Tucker, J.A., Brassington, C., Hassall, G., Vogtherr, M., Ward, R., Tart, J., Davies, G., Debreczeni, J.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJJ
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RAT LDHA IN COMPLEX WITH 2-((3,4-DIMETHOXYPHENYL)METHYL))PROPANEDIOIC ACID AND N-(2-METHYL-1,3-BENZOTHIAZOL-6-YL)-3-UREIDO-PROPANAMIDE
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, N-(2-METHYL-1,3-BENZOTHIAZOL-6-YL)-3-UREIDO-PROPANAMIDE, MALONATE ION, ...
Authors:Tucker, J.A., Brassington, C., Hassall, G., Vogtherr, M., Ward, R., Tart, J., Davies, G., Patel, J., Greenwood, R.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJ1
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RAT LDHA IN COMPLEX WITH N-(2-(METHYLAMINO)-1,3-BENZOTHIAZOL-6-YL) ACETAMIDE
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, GLYCEROL, N-(2-METHYLAMINO)-1,3-BENZOTHIAZOL-6-YL)ACETAMIDE, ...
Authors:Tucker, J.A., Brassington, C., Hassall, G., Vogtherr, M., Ward, R., Tart, J., Davies, G.
Deposit date:2012-02-15
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
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