4UVI
| Discovery of pyrimidine isoxazoles InhA in complex with compound 23 | 分子名称: | 5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-[(2-methylpyridin-4-yl)methyl]-1,2-oxazole-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | 登録日 | 2014-08-05 | 公開日 | 2015-09-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase To be Published
|
|
5FQR
| Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 2. | 分子名称: | (E)-3-[4-[(1R)-6-HYDROXY-2-ISOBUTYL-3,4-DIHYDRO-1H-ISOQUINOLIN-1-YL]PHENYL]PROP-2-ENOIC ACID, ESTROGEN RECEPTOR | 著者 | Scott, J.S, Bailey, A, Davies, R.D.M, Degorce, S.L, MacFaul, P.A, Gingell, H, Moss, T, Norman, R.A, Pink, J.H, Rabow, A.A, Roberts, B, Smith, P.D. | 登録日 | 2015-12-14 | 公開日 | 2016-02-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat. Acs Med.Chem.Lett., 7, 2016
|
|
5FQS
| Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 3. | 分子名称: | (E)-3-[4-(6-HYDROXY-2-ISOBUTYL-1-METHYL-3,4-DIHYDROISOQUINOLIN-1-YL)PHENYL]PROP-2-ENOIC ACID, ESTROGEN RECEPTOR | 著者 | Scott, J.S, Bailey, A, Davies, R.D.M, Degorce, S.L, MacFaul, P.A, Gingell, H, Moss, T, Norman, R.A, Pink, J.H, Rabow, A.A, Roberts, B, Smith, P.D. | 登録日 | 2015-12-14 | 公開日 | 2016-02-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat. Acs Med.Chem.Lett., 7, 2016
|
|
4UVH
| Discovery of pyrimidine isoxazoles InhA in complex with compound 10 | 分子名称: | ACETATE ION, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], N-(1,3-BENZOTHIAZOL-2-YL)ACETAMIDE, ... | 著者 | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | 登録日 | 2014-08-05 | 公開日 | 2015-09-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase To be Published
|
|
4UVE
| Discovery of pyrimidine isoxazoles InhA in complex with compound 9 | 分子名称: | 2-(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYLETHANOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], MAGNESIUM ION, ... | 著者 | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | 登録日 | 2014-08-05 | 公開日 | 2015-09-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase To be Published
|
|
4UVG
| Discovery of pyrimidine isoxazoles InhA in complex with compound 15 | 分子名称: | 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]isoxazole-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], MAGNESIUM ION, ... | 著者 | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | 登録日 | 2014-08-05 | 公開日 | 2015-09-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase To be Published
|
|
4UVD
| Discovery of pyrimidine isoxazoles InhA in complex with compound 6 | 分子名称: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[(2Z)-5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2(3H)-ylidene]acetamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], MAGNESIUM ION, ... | 著者 | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | 登録日 | 2014-08-05 | 公開日 | 2015-09-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase To be Published
|
|
4UNP
| Mtb TMK in complex with compound 34 | 分子名称: | 5-methyl-7-propyl-1,6-naphthyridin-2(1H)-one, THYMIDYLATE KINASE | 著者 | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | 登録日 | 2014-05-30 | 公開日 | 2015-01-14 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
|
|
4UNQ
| Mtb TMK in complex with compound 36 | 分子名称: | 4-[(R)-methylsulfinyl]-2-oxo-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydropyridine-3-carbonitrile, SODIUM ION, THYMIDYLATE KINASE | 著者 | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | 登録日 | 2014-05-30 | 公開日 | 2015-06-24 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
|
|
4UNS
| Mtb TMK in complex with compound 40 | 分子名称: | N-[4-(3-CYANO-7-ETHYL-5-METHYL-2-OXO-1H-1,6-NAPHTHYRIDIN-4-YL)PHENYL]METHANESULFONAMIDE, SODIUM ION, THYMIDYLATE KINASE | 著者 | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | 登録日 | 2014-05-30 | 公開日 | 2015-06-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
|
|
5ACC
| A Novel Oral Selective Estrogen Receptor Down-regulator, AZD9496, drives Tumour Growth Inhibition in Estrogen Receptor positive and ESR1 Mutant Models | 分子名称: | (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, ESTROGEN RECEPTOR | 著者 | Norman, R.A, Weir, H.M, Bradbury, R.H, Lawson, M, Rabow, A.A, Buttar, D, Callis, R.J, Curwen, J.O, de Almeida, C, Ballard, P, Hulse, M, Donald, C.S, Feron, L.J.L, Gingell, H, Karoutchi, G, MacFaul, P, Moss, T, Pearson, S.E, Tonge, M, Davies, G, Walker, G.E, Wilson, Z, Rowlinson, R, Powell, S, Hemsley, P, Linney, E, Campbell, H, Ghazoui, Z, Sadler, C, Richmond, G, Pazolli, E, Mazzola, A.M, DCruz, C, De Savi, C. | 登録日 | 2015-08-15 | 公開日 | 2015-12-16 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | 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
|
|
5FQV
| Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 5. | 分子名称: | (E)-3-[4-(6-hydroxy-2-isobutyl-7-methyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]prop-2-enoic acid, ESTROGEN RECEPTOR ALPHA | 著者 | Scott, J.S, bailey, A, Davies, R.D.M, Degorce, S.L, MacFaul, P.A, Gingell, H, Moss, T, Norman, R.A, Pink, J.H, Rabow, A.A, Roberts, B, Smith, P.D. | 登録日 | 2015-12-14 | 公開日 | 2016-02-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat. Acs Med.Chem.Lett., 7, 2016
|
|
5FQT
| Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 4. | 分子名称: | (E)-3-[4-(6-hydroxy-2-isobutyl-5-methyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]prop-2-enoic acid, ESTROGEN RECEPTOR ALPHA | 著者 | Scott, J.S, Bailey, A, Davies, R.D.M, Degorce, S.L, MacFaul, P.A, Gingell, H, Moss, T, Norman, R.A, Pink, J.H, Rabow, A.A, Roberts, B, Smith, P.D. | 登録日 | 2015-12-14 | 公開日 | 2016-02-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat. Acs Med.Chem.Lett., 7, 2016
|
|
5FQP
| Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 1. | 分子名称: | (E)-3-[4-[(1R,3R)-6-hydroxy-2-isobutyl-3-methyl-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]prop-2-enoic acid, ESTROGEN RECEPTOR ALPHA | 著者 | Scott, J.S, Bailey, A, Davies, R.D.M, Degorce, S.L, MacFaul, P.A, Gingell, H, Moss, T, Norman, R.A, Pink, J.H, Rabow, A.A, Roberts, B, Smith, P.D. | 登録日 | 2015-12-14 | 公開日 | 2016-02-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat. Acs Med.Chem.Lett., 7, 2016
|
|
4D0R
| Mtb InhA complex with Pyradizinone compound 1 | 分子名称: | 4-(4-chlorophenoxy)-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Read, J.A, Gingell, H, Madhavapeddi, P, Lange, S. | 登録日 | 2014-04-29 | 公開日 | 2015-05-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Pyridazinones: A Novel Scaffold with Excellent Physicochemical Properties and Safety Profile for a Clinically Validated Target of Mycobacterium Tuberculosis To be Published
|
|
4UNR
| Mtb TMK in complex with compound 23 | 分子名称: | 4-[3-cyano-2-oxo-7-(1H-pyrazol-4-yl)-5,6-dihydro-1H-benzo[h]quinolin-4-yl]benzoic acid, MAGNESIUM ION, Thymidylate kinase | 著者 | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | 登録日 | 2014-05-30 | 公開日 | 2015-06-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
|
|
4UNN
| Mtb TMK in complex with compound 8 | 分子名称: | 4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]benzoic acid, THYMIDYLATE KINASE | 著者 | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | 登録日 | 2014-05-29 | 公開日 | 2015-06-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
|
|
4BII
| |
4BQP
| Mtb InhA complex with Methyl-thiazole compound 7 | 分子名称: | (1S)-1-(5-{[1-(2,6-DIFLUOROBENZYL)-1H-PYRAZOL-3-YL]AMINO}-1,3,4-THIADIAZOL-2-YL)-1-(4-METHYL-1,3-THIAZOL-2-YL)ETHANOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | 著者 | Read, J.A, Gingell, H, Madhavapeddi, P, Shirude, P.S. | 登録日 | 2013-05-31 | 公開日 | 2013-12-11 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Methyl-Thiazoles: A Novel Mode of Inhibition with the Potential to Develop Novel Inhibitors Targeting Inha in Mycobacterium Tuberculosis. J.Med.Chem., 56, 2013
|
|
4BQR
| Mtb InhA complex with Methyl-thiazole compound 11 | 分子名称: | (NZ)-2-[2,6-bis(fluoranyl)phenyl]-N-[5-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-1-oxidanyl-ethyl]-3H-1,3,4-thiadiazol-2-ylidene]ethanamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Read, J.A, Gingell, H, Madhavapeddi, P, Shirude, P.S. | 登録日 | 2013-05-31 | 公開日 | 2013-12-11 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Methyl-Thiazoles: A Novel Mode of Inhibition with the Potential to Develop Novel Inhibitors Targeting Inha in Mycobacterium Tuberculosis. J.Med.Chem., 56, 2013
|
|