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4A0D
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STRUCTURE OF UNLIGANDED HUMAN PARG CATALYTIC DOMAIN
Descriptor:POLY(ADP-RIBOSE) GLYCOHYDROLASE, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, GLYCEROL, ...
Authors:Brassington, C., Ellston, J., Hassall, G., Holdgate, G., McAlister, M., Overman, R., Smith, G., Tucker, J.A., Watson, M.
Deposit date:2011-09-08
Release date:2012-10-17
Last modified:2013-01-16
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structures of the Human Poly (Adp-Ribose) Glycohydrolase Catalytic Domain Confirm Catalytic Mechanism and Explain Inhibition by Adp-Hpd Derivatives.
Plos One, 7, 2012
4B1G
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STRUCTURE OF UNLIGANDED HUMAN PARG CATALYTIC DOMAIN
Descriptor:POLY(ADP-RIBOSE) GLYCOHYDROLASE, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, SULFATE ION
Authors:Brassington, C., Ellston, J., Hassall, G., Holdgate, G., McAlister, M., Overman, R., Smith, G., Tucker, J.A., Watson, M.
Deposit date:2012-07-10
Release date:2012-12-19
Last modified:2013-01-16
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structures of the Human Poly (Adp-Ribose) Glycohydrolase Catalytic Domain Confirm Catalytic Mechanism and Explain Inhibition by Adp-Hpd Derivatives.
Plos One, 7, 2012
4B1H
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STRUCTURE OF HUMAN PARG CATALYTIC DOMAIN IN COMPLEX WITH ADP-RIBOSE
Descriptor:POLY(ADP-RIBOSE) GLYCOHYDROLASE, BETA-MERCAPTOETHANOL, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, ...
Authors:Brassington, C., Ellston, J., Hassall, G., Holdgate, G., McAlister, M., Smith, G., Tucker, J.A., Watson, M.
Deposit date:2012-07-10
Release date:2012-12-19
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of the Human Poly (Adp-Ribose) Glycohydrolase Catalytic Domain Confirm Catalytic Mechanism and Explain Inhibition by Adp-Hpd Derivatives.
Plos One, 7, 2012
4B1I
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STRUCTURE OF HUMAN PARG CATALYTIC DOMAIN IN COMPLEX WITH OA-ADP-HPD
Descriptor:POLY(ADP-RIBOSE) GLYCOHYDROLASE, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, GLYCEROL, ...
Authors:Brassington, C., Ellston, J., Hassall, G., Holdgate, G., Johnson, T., McAlister, M., Smith, G., Tucker, J.A., Watson, M.
Deposit date:2012-07-10
Release date:2012-12-19
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structures of the Human Poly (Adp-Ribose) Glycohydrolase Catalytic Domain Confirm Catalytic Mechanism and Explain Inhibition by Adp-Hpd Derivatives.
Plos One, 7, 2012
4B1J
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STRUCTURE OF HUMAN PARG CATALYTIC DOMAIN IN COMPLEX WITH ADP-HPD
Descriptor:POLY(ADP-RIBOSE) GLYCOHYDROLASE, GLYCEROL, 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, ...
Authors:Brassington, C., Ellston, J., Hassall, G., Holdgate, G., McAlister, M., Overman, R., Smith, G., Tucker, J.A., Watson, M.
Deposit date:2012-07-10
Release date:2012-12-19
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structures of the Human Poly (Adp-Ribose) Glycohydrolase Catalytic Domain Confirm Catalytic Mechanism and Explain Inhibition by Adp-Hpd Derivatives.
Plos One, 7, 2012
4URU
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THE CRYSTAL STRUCTURE OF H-RAS AND SOS IN COMPLEX WITH LIGANDS
Descriptor:GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1, 4-METHOXY-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE
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 (2.83 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4UY9
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STRUCTURE OF MLK1 KINASE DOMAIN WITH LEUCINE ZIPPER 1
Descriptor:MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 9
Authors:Read, J.A., Brassington, C., Pollard, H.K., Phillips, C., Green, I., Overmann, R., Collier, M.
Deposit date:2014-08-29
Release date:2015-09-30
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Recurrent Mlk4 Loss-of-Function Mutations Suppress Jnk Signaling to Promote Colon Tumorigenesis.
Cancer Res., 76, 2016
4UYA
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STRUCTURE OF MLK4 KINASE DOMAIN WITH ATPGAMMAS
Descriptor:MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE MLK4, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, MAGNESIUM ION
Authors:Read, J.A., Brassington, C., Pollard, H.K., Phillips, C., Green, I., Overmann, R., Collier, M.
Deposit date:2014-08-29
Release date:2015-09-30
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Recurrent Mlk4 Loss-of-Function Mutations Suppress Jnk Signaling to Promote Colon Tumorigenesis.
Cancer Res., 76, 2016
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
4AJ2
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RAT LDHA IN COMPLEX WITH 5-(2-CHLOROPHENYL)-1H-TETRAZOLE
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, GLYCEROL, 5-(2-CHLOROPHENYL)-1H-TETRAZOLE, ...
Authors:Tucker, J.A., Brassington, C., Hassall, G., Vogtherr, M., Ward, R., Tart, J., Davies, G., Frazer, M.
Deposit date:2012-02-15
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
4AJ4
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RAT LDHA IN COMPLEX WITH 4-((2-ALLYLSULFANYL-1,3-BENZOTHIZOL-6-YL) AMINO)-4-OXO-BUTANOIC ACID
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, MALONATE ION, 4-oxo-4-{[2-(prop-2-en-1-ylsulfanyl)-1,3-benzothiazol-6-yl]amino}butanoic acid
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 (1.9 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJE
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RAT LDHA IN COMPLEX WITH 2-(4-BROMOPHENOXY)PROPANEDIOIC ACID
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, 2-(4-BROMANYLPHENOXY)PROPANEDIOIC ACID, MALONATE ION, ...
Authors:Tucker, J.A., Brassington, C., Hassall, G., Vogtherr, M., Ward, R., Tart, J., Davies, G., Pearson, S.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
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
4AJK
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RAT LDHA IN COMPLEX WITH N-(2-(METHYLAMINO)-1,3-BENZOTHIAZOL-6-YL) ACETAMIDE
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., Greenwood, R.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJL
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RAT LDHA IN COMPLEX WITH 3-(ETHYLCARBAMOYLAMINO)-N-(2-METHYL-1,3- BENZOTHIAZOL-6-YL)PROPANAMIDE
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, GLYCEROL, N~3~-(ethylcarbamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-beta-alaninamide, ...
Authors:Tucker, J.A., Brassington, C., Hassall, G., Vogtherr, M., Ward, R., Tart, J., Davies, G., Addie, M., Ferguson, A.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJN
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RAT LDHA IN COMPLEX WITH 2-((4-(2-((3-((2-METHYL-1,3-BENZOTHIAZOL-6- YL)AMINO)-3-OXO-PROPYL)CARBAMOYLAMINO)ETHYL)PHENYL)METHYL) PROPANEDIOIC ACID
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, (4-{2-[({3-[(2-METHYL-1,3-BENZOTHIAZOL-6-YL)AMINO]-3-OXOPROPYL}CARBAMOYL)AMINO]ETHYL}BENZYL)PROPANEDIOIC ACID, GLYCEROL
Authors:Tucker, J.A., Brassington, C., Hassall, G., Watson, M., Ward, R., Tart, J., Davies, G., Caputo, A., Pearson, S.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJO
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RAT LDHA IN COMPLEX WITH 2-((4-(4-((3-((2-METHYL-1,3-BENZOTHIAZOL-6YL) AMINO)-3-OXO-PROPYL)AMINO)-4-OXO-BUTYL)PHENYL)METHYL)PROPANEDIOIC ACID
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, {4-[4-({3-[(2-METHYL-1,3-BENZOTHIAZOL-6-YL)AMINO]-3-OXOPROPYL}AMINO)-4-OXOBUTYL]BENZYL}PROPANEDIOIC ACID, DIMETHYL SULFOXIDE, ...
Authors:Tucker, J.A., Brassington, C., Hassall, G., Watson, M., Ward, R., Tart, J., Davies, G., Caputo, A., Pearson, S.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJP
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HUMAN LDHA IN COMPLEX WITH 2-((4-(4-((3-((2-METHYL-1,3-BENZOTHIAZOL- 6YL)AMINO)-3-OXO-PROPYL)AMINO)-4-OXO-BUTYL)PHENYL)METHYL)PROPANEDIOIC ACID
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, {4-[4-({3-[(2-METHYL-1,3-BENZOTHIAZOL-6-YL)AMINO]-3-OXOPROPYL}AMINO)-4-OXOBUTYL]BENZYL}PROPANEDIOIC ACID, SULFATE ION, ...
Authors:Tucker, J.A., Brassington, C., Caputo, A., Ward, R., Pearson, S., Watson, M., Tart, J., Davies, G.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2014-09-17
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AL4
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RAT LDHA IN COMPLEX WITH 2-((4-(2-((3-((2-METHYL-1,3-BENZOTHIAZOL-6- YL)AMINO)3-OXO-PROPYL)CARBAMOYLAMINO)ETHOXY)PHENYL)METHYLPROPANEDIOIC ACID
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, GLYCEROL, 2-[[4-[2-[[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxidanylidene-propyl]carbamoylamino]ethoxy]phenyl]methyl]propanedioic acid
Authors:Tucker, J.A., Brassington, C., Hassall, G., Ward, R., Tart, J., Davies, G., Hohson, M., Pearson, S.
Deposit date:2012-03-01
Release date:2012-03-21
Last modified:2012-04-25
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4UCO
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FRAGMENT BOUND TO H.INFLUENZA NAD DEPENDENT DNA LIGASE
Descriptor:DNA LIGASE, 7-amino-2-tert-butyl-4-(1H-pyrrol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide, 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
Authors:Hale, M., Brassington, C., Carcanague, D., Embrey, K., Eyermann, C.J., Giacobbe, R.A., Gingipali, L., Gowravaram, M., Harang, J., Howard, T., Ioannidis, G., Jahic, H., Kutschke, A., Laganas, V.A., Loch, J., Miller, M.D., Murphy-Benenato, K.E., Oguto, H., Otterbein, L., Patel, S.J., Shapiro, A.B., Boriack-Sjodin, P.A.
Deposit date:2014-12-04
Release date:2015-10-14
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UCR
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FRAGMENT BOUND TO H.INFLUENZA NAD DEPENDENT DNA LIGASE
Descriptor:DNA LIGASE, 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxy-2-methylquinoline-6-carboxamide
Authors:Hale, M., Brassington, C., Carcanague, D., Embrey, K., Eyermann, C.J., Giacobbe, R.A., Gingipali, L., Gowravaram, M., Harang, J., Howard, T., Ioannidis, G., Jahic, H., Kutschke, A., Laganas, V.A., Loch, J., Miller, M.D., Murphy-Benenato, K.E., Oguto, H., Otterbein, L., Patel, S.J., Shapiro, A.B., Boriack-Sjodin, P.A.
Deposit date:2014-12-04
Release date:2015-10-14
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UCS
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FRAGMENT BOUND TO H.INFLUENZA NAD DEPENDENT DNA LIGASE
Descriptor:DNA LIGASE, 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 5-amino-3-(furan-2-yl)-1H-1,2,4-triazole-1-carboxamide
Authors:Hale, M., Brassington, C., Carcanague, D., Embrey, K., Eyermann, C.J., Giacobbe, R.A., Gingipali, L., Gowravaram, M., Harang, J., Howard, T., Ioannidis, G., Jahic, H., Kutschke, A., Laganas, V.A., Loch, J., Miller, M.D., Murphy-Benenato, K.E., Oguto, H., Otterbein, L., Patel, S.J., Shapiro, A.B., Boriack-Sjodin, P.A.
Deposit date:2014-12-04
Release date:2015-10-14
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UCT
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FRAGMENT BOUND TO H.INFLUENZA NAD DEPENDENT DNA LIGASE
Descriptor:DNA LIGASE, 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 2-amino-6-methyl-5-(propan-2-yloxy)-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium
Authors:Hale, M., Brassington, C., Carcanague, D., Embrey, K., Eyermann, C.J., Giacobbe, R.A., Gingipali, L., Gowravaram, M., Harang, J., Howard, T., Ioannidis, G., Jahic, H., Kutschke, A., Laganas, V.A., Loch, J., Miller, M.D., Murphy-Benenato, K.E., Oguto, H., Otterbein, L., Patel, S.J., Shapiro, A.B., Boriack-Sjodin, P.A.
Deposit date:2014-12-04
Release date:2015-10-14
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
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