Author results

6GQJ
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CRYSTAL STRUCTURE OF HUMAN C-KIT KINASE DOMAIN IN COMPLEX WITH AZD3229-ANALOGUE (COMPOUND 18)
Descriptor:Mast/stem cell growth factor receptor Kit, 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{N}-(1-propan-2-ylpyrazol-4-yl)ethanamide
Authors:Schimpl, M., Hardy, C.J., Ogg, D.J., Overman, R.C., Packer, M.J., Kettle, J.G., Anjum, R., Barry, E., Bhavsar, D., Brown, C., Campbell, A., Goldberg, K., Grondine, M., Guichard, S., Hunt, T., Jones, O., Li, X., Moleva, O., Pearson, S., Shao, W., Smith, A., Smith, J., Stead, D., Stokes, S., Tucker, M., Ye, Y.
Deposit date:2018-06-07
Release date:2018-09-19
Last modified:2018-10-31
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
6GQK
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CRYSTAL STRUCTURE OF HUMAN C-KIT KINASE DOMAIN IN COMPLEX WITH AZD3229-ANALOGUE (COMPOUND 23)
Descriptor:Mast/stem cell growth factor receptor Kit, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide
Authors:Schimpl, M., Hardy, C.J., Ogg, D.J., Overman, R.C., Packer, M.J., Kettle, J.G., Anjum, R., Barry, E., Bhavsar, D., Brown, C., Campbell, A., Goldberg, K., Grondine, M., Guichard, S., Hunt, T., Jones, O., Li, X., Moleva, O., Pearson, S., Shao, W., Smith, A., Smith, J., Stead, D., Stokes, S., Tucker, M., Ye, Y.
Deposit date:2018-06-07
Release date:2018-09-19
Last modified:2018-10-31
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
6GQL
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CRYSTAL STRUCTURE OF HUMAN C-KIT KINASE DOMAIN IN COMPLEX WITH AZD3229-ANALOGUE (COMPOUND 35)
Descriptor:Mast/stem cell growth factor receptor Kit, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide
Authors:Schimpl, M., Hardy, C.J., Ogg, D.J., Overman, R.C., Packer, M.J., Kettle, J.G., Anjum, R., Barry, E., Bhavsar, D., Brown, C., Campbell, A., Goldberg, K., Grondine, M., Guichard, S., Hunt, T., Jones, O., Li, X., Moleva, O., Pearson, S., Shao, W., Smith, A., Smith, J., Stead, D., Stokes, S., Tucker, M., Ye, Y.
Deposit date:2018-06-07
Release date:2018-09-19
Last modified:2018-10-31
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
6GQM
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CRYSTAL STRUCTURE OF HUMAN C-KIT KINASE DOMAIN IN COMPLEX WITH A SMALL MOLECULE INHIBITOR, AZD3229
Descriptor:Mast/stem cell growth factor receptor Kit, ~{N}-[4-[[5-fluoranyl-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide, CHLORIDE ION
Authors:Schimpl, M., Hardy, C.J., Ogg, D.J., Overman, R.C., Packer, M.J., Kettle, J.G., Anjum, R., Barry, E., Bhavsar, D., Brown, C., Campbell, A., Goldberg, K., Grondine, M., Guichard, S., Hunt, T., Jones, O., Li, X., Moleva, O., Pearson, S., Shao, W., Smith, A., Smith, J., Stead, D., Stokes, S., Tucker, M., Ye, Y.
Deposit date:2018-06-07
Release date:2018-09-19
Last modified:2018-10-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
6GQO
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CRYSTAL STRUCTURE OF HUMAN KDR (VEGFR2) KINASE DOMAIN IN COMPLEX WITH AZD3229-ANALOGUE (COMPOUND 18)
Descriptor:Vascular endothelial growth factor receptor 2, 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{N}-(1-propan-2-ylpyrazol-4-yl)ethanamide
Authors:Ogg, D.J., Schimpl, M., Hardy, C.J., Overman, R.C., Packer, M.J., Kettle, J.G., Anjum, R., Barry, E., Bhavsar, D., Brown, C., Campbell, A., Goldberg, K., Grondine, M., Guichard, S., Hunt, T., Jones, O., Li, X., Moleva, O., Pearson, S., Shao, W., Smith, A., Smith, J., Stead, D., Stokes, S., Tucker, M., Ye, Y.
Deposit date:2018-06-07
Release date:2018-09-19
Last modified:2018-10-31
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
6GQP
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CRYSTAL STRUCTURE OF HUMAN KDR (VEGFR2) KINASE DOMAIN IN COMPLEX WITH AZD3229-ANALOGUE (COMPOUND 23)
Descriptor:Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide
Authors:Hardy, C.J., Schimpl, M., Ogg, D.J., Overman, R.C., Packer, M.J., Kettle, J.G., Anjum, R., Barry, E., Bhavsar, D., Brown, C., Campbell, A., Goldberg, K., Grondine, M., Guichard, S., Hunt, T., Jones, O., Li, X., Moleva, O., Pearson, S., Shao, W., Smith, A., Smith, J., Stead, D., Stokes, S., Tucker, M., Ye, Y.
Deposit date:2018-06-07
Release date:2018-09-19
Last modified:2018-10-31
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
6GQQ
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CRYSTAL STRUCTURE OF HUMAN KDR (VEGFR2) KINASE DOMAIN IN COMPLEX WITH AZD3229-ANALOGUE (COMPOUND 35)
Descriptor:Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide
Authors:Schimpl, M., Hardy, C.J., Ogg, D.J., Overman, R.C., Packer, M.J., Kettle, J.G., Anjum, R., Barry, E., Bhavsar, D., Brown, C., Campbell, A., Goldberg, K., Grondine, M., Guichard, S., Hunt, T., Jones, O., Li, X., Moleva, O., Pearson, S., Shao, W., Smith, A., Smith, J., Stead, D., Stokes, S., Tucker, M., Ye, Y.
Deposit date:2018-06-07
Release date:2018-09-19
Last modified:2018-10-31
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
1HLK
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METALLO-BETA-LACTAMASE FROM BACTEROIDES FRAGILIS IN COMPLEX WITH A TRICYCLIC INHIBITOR
Descriptor:BETA-LACTAMASE, TYPE II, ZINC ION, ...
Authors:Payne, D.J., Hueso-Rodriguez, J.A., Boyd, H., Concha, N.O., Janson, C.A., Gilpin, M., Bateson, J.H., Chever, C., Niconovich, N.L., Pearson, S., Rittenhouse, S., Tew, D., Diez, E., Perez, P., de la Fuente, J., Rees, M., Rivera-Sagredo, A.
Deposit date:2000-12-01
Release date:2001-11-30
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of a series of tricyclic natural products as potent broad spectrum inhibitors of metallo-beta-lactamases
Antimicrob.Agents Chemother., 46, 2002
1KR3
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CRYSTAL STRUCTURE OF THE METALLO BETA-LACTAMASE FROM BACTEROIDES FRAGILIS (CFIA) IN COMPLEX WITH THE TRICYCLIC INHIBITOR SB-236050.
Descriptor:beta-Lactamase, type II, ZINC ION, ...
Authors:Payne, D.J., Hueso-Rodrguez, J.A., Boyd, H., Concha, N.O., Janson, C.A., Gilpin, M., Bateson, J.H., Cheever, C., Niconovich, N.L., Pearson, S., Rittenhouse, S., Tew, D., Dez, E., Prez, P., de la Fuente, J., Rees, M., Rivera-Sagredo, A.
Deposit date:2002-01-08
Release date:2003-01-08
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of a series of tricyclic natural products as potent broad-spectrum inhibitors of metallo-beta-lactamases
ANTIMICROB.AGENTS CHEMOTHER., 46, 2002
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
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
4GV1
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PKB ALPHA IN COMPLEX WITH AZD5363
Descriptor:RAC-alpha serine/threonine-protein kinase, 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide, GLYCEROL
Authors:Addie, M., Ballard, P., Bird, G., Buttar, D., Currie, G., Davies, B., Debreczeni, J., Dry, H., Dudley, P., Greenwood, R., Hatter, G., Jestel, A., Johnson, P.D., Kettle, J.G., Lane, C., Lamont, G., Leach, A., Luke, R.W.A., Ogilvie, D., Page, K., Pass, M., Steinbacher, S., Steuber, H., Pearson, S., Ruston, L.
Deposit date:2012-08-30
Release date:2013-02-27
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Discovery of 4-Amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (AZD5363), an Orally Bioavailable, Potent Inhibitor of Akt Kinases.
J.Med.Chem., 56, 2013
1DD6
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IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH A MERCAPTOCARBOXYLATE INHIBITOR
Descriptor:IMP-1 METALLO BETA-LACTAMASE, SULFATE ION, ZINC ION, ...
Authors:Concha, N.O., Janson, C.A., Rowling, P., Pearson, S., Cheever, C.A., Clarke, B.P., Lewis, C., Galleni, M., Frere, J.M., Payne, D.J., Bateson, J.H., Abdel-Meguid, S.S.
Deposit date:1999-11-08
Release date:2000-11-08
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the IMP-1 metallo beta-lactamase from Pseudomonas aeruginosa and its complex with a mercaptocarboxylate inhibitor: binding determinants of a potent, broad-spectrum inhibitor.
Biochemistry, 39, 2000
1DDK
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CRYSTAL STRUCTURE OF IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA
Descriptor:IMP-1 METALLO BETA-LACTAMASE, ZINC ION, ACETIC ACID
Authors:Concha, N.O., Janson, C.A., Rowling, P., Pearson, S., Cheever, C.A., Clarke, B.P., Lewis, C., Galleni, M., Frere, J.M., Payne, D.J., Bateson, J.H., Abdel-Meguid, S.S.
Deposit date:1999-11-10
Release date:2000-11-13
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of the IMP-1 metallo beta-lactamase from Pseudomonas aeruginosa and its complex with a mercaptocarboxylate inhibitor: binding determinants of a potent, broad-spectrum inhibitor.
Biochemistry, 39, 2000
1MFP
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E. COLI ENOYL REDUCTASE IN COMPLEX WITH NAD AND SB611113
Descriptor:enoyl-[acyl-carrier-protein] reductase [Nadh], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, (E)-N-METHYL-N-(1-METHYL-1H-INDOL-3-YLMETHYL)-3-(7-OXO-5,6,7,8-TETRAHYDRO-[1,8]NAPHTHYRIDIN-3-YL)-ACRYLAMIDE, ...
Authors:Seefeld, M.A., Miller, W.H., Newlander, K.A., Burgess, W.J., DeWolf Jr., W.E., Elkins, P.A., Head, M.S., Jakas, D.R., Janson, C.A., Keller, P.M., Manley, P.J., Moore, T.D., Payne, D.J., Pearson, S., Polizzi, B.J., Qiu, X., Rittenhouse, S.F., Uzinskas, I.N., Wallis, N.G., Huffman, W.F.
Deposit date:2002-08-13
Release date:2003-05-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Indole Naphthyridinones as Inhibitors of Bacterial Enoyl-ACP Reductases FabI and FabK
J.MED.CHEM., 46, 2003
5AAU
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OPTIMIZATION OF A NOVEL BINDING MOTIF TO TO (E)-3-(3,5-DIFLUORO-4-((1R,3R)-2-(2-FLUORO-2-METHYLPROPYL)-3-METHYL-2,3,4,9-TETRAHYDRO-1H- PYRIDO(3,4-B)INDOL-1-YL)PHENYL)ACRYLIC ACID (AZD9496), A POTENT AND ORALLY BIOAVAILABLE SELECTIVE ESTROGEN RECEPTOR DOWNREGULATOR AND ANTAGONIST
Descriptor:ESTROGEN RECEPTOR, 3-(1-(4-Chlorophenyl)-3,4-dihydro-1H-pyrido(3,4-b)indol-2(9H)-yl)propanoic acid
Authors:Norman, R.A., Bradbury, R.H., de Almeida, C., Andrews, D.M., Ballard, P., Buttar, D., Callis, R.J., Currie, G.S., Curwen, J.O., Davies, C.D., de Savi, C., Donald, C.S., Feron, L.J.L., Glossop, S.C., Hayter, B.R., Karoutchi, G., Lamont, S.G., MacFaul, P., Moss, T., Pearson, S.E., Rabow, A.A., Tonge, M., Walker, G.E., Weir, H.M., Wilson, Z.
Deposit date:2015-07-28
Release date:2015-10-14
Last modified:2016-10-12
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2, 3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl)Phenyl)Acrylic Acid (Azd9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist.
J.Med.Chem., 58, 2015
5AAV
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OPTIMIZATION OF A NOVEL BINDING MOTIF TO TO (E)-3-(3,5-DIFLUORO-4-((1R,3R)-2-(2-FLUORO-2-METHYLPROPYL)-3-METHYL-2,3,4,9-TETRAHYDRO-1H- PYRIDO(3,4-B)INDOL-1-YL)PHENYL)ACRYLIC ACID (AZD9496), A POTENT AND ORALLY BIOAVAILABLE SELECTIVE ESTROGEN RECEPTOR DOWNREGULATOR AND ANTAGONIST
Descriptor:ESTROGEN RECEPTOR, (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRYLIC ACID
Authors:Norman, R.A., Bradbury, R.H., de Almeida, C., Andrews, D.M., Ballard, P., Buttar, D., Callis, R.J., Currie, G.S., Curwen, J.O., Davies, C.D., de Savi, C., Donald, C.S., Feron, L.J.L., Glossop, S.C., Hayter, B.R., Karoutchi, G., Lamont, S.G., MacFaul, P., Moss, T., Pearson, S.E., Rabow, A.A., Tonge, M., Walker, G.E., Weir, H.M., Wilson, Z.
Deposit date:2015-07-29
Release date:2015-10-14
Last modified:2016-10-12
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2, 3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl)Phenyl)Acrylic Acid (Azd9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist.
J.Med.Chem., 58, 2015
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
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
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