2GEK
| Crystal Structure of phosphatidylinositol mannosyltransferase (PimA) from Mycobacterium smegmatis in complex with GDP | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, PHOSPHATIDYLINOSITOL MANNOSYLTRANSFERASE (PimA) | 著者 | Guerin, M.E, Buschiazzo, A, Kordulakova, J, Jackson, M, Alzari, P.M. | 登録日 | 2006-03-20 | 公開日 | 2007-04-03 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Molecular recognition and interfacial catalysis by the essential phosphatidylinositol mannosyltransferase PimA from mycobacteria. J.Biol.Chem., 282, 2007
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2GEJ
| Crystal Structure of phosphatidylinositol mannosyltransferase (PimA) from Mycobacterium smegmatis in complex with GDP-Man | 分子名称: | GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, PHOSPHATIDYLINOSITOL MANNOSYLTRANSFERASE (PimA) | 著者 | Guerin, M.E, Buschiazzo, A, Kordulakova, J, Jackson, M, Alzari, P.M. | 登録日 | 2006-03-20 | 公開日 | 2007-04-03 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Molecular recognition and interfacial catalysis by the essential phosphatidylinositol mannosyltransferase PimA from mycobacteria. J.Biol.Chem., 282, 2007
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6DE4
| Homo sapiens dihydrofolate reductase complexed with beta-NADPH and 3'-[(2R)-4-(2,4-diamino-6-ethylphenyl)but-3-yn-2-yl]-5'-methoxy-[1,1'-biphenyl]-4-carboxylic acid | 分子名称: | 3'-[(2R)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid, CALCIUM ION, CHLORIDE ION, ... | 著者 | Hajian, B, Wright, D. | 登録日 | 2018-05-11 | 公開日 | 2018-05-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.411 Å) | 主引用文献 | Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents. Cell Chem Biol, 26, 2019
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6DDS
| Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid | 分子名称: | 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid, ACETATE ION, Dihydrofolate reductase, ... | 著者 | Hajian, B, Wright, D, Scocchera, E. | 登録日 | 2018-05-10 | 公開日 | 2018-05-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents. Cell Chem Biol, 26, 2019
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6DDW
| Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-2-hydroxybenzene-1-carbonyl)-L-glutamic acid | 分子名称: | Dihydrofolate reductase, GLYCEROL, N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-2-hydroxybenzene-1-carbonyl)-L-glutamic acid, ... | 著者 | Hajian, B, Scocchera, E, Wright, D. | 登録日 | 2018-05-10 | 公開日 | 2018-05-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents. Cell Chem Biol, 26, 2019
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6DDP
| Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and 3'-[(2R)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid | 分子名称: | 3'-[(2R)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Hajian, B, Wright, D. | 登録日 | 2018-05-10 | 公開日 | 2018-05-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents. Cell Chem Biol, 26, 2019
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6DE5
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8OTM
| structure of InhA from mycobacterium tuberculosis in complex with N-((1-(3-hydroxy-4-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methyl)-2-oxo-2H-chromene-3-carboxamide | 分子名称: | 1,2-ETHANEDIOL, 2-oxidanylidene-~{N}-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methyl]chromene-3-carboxamide, ACETATE ION, ... | 著者 | Chebaiki, M, Maveyraud, L, Tamhaev, R, Lherbet, C, Mourey, L. | 登録日 | 2023-04-21 | 公開日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery of new diaryl ether inhibitors against Mycobacterium tuberculosis targeting the minor portal of InhA. Eur.J.Med.Chem., 259, 2023
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8OTN
| structure of InhA from mycobacterium tuberculosis in complex with inhibitor 7-((1-(3-Hydroxy-4-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methoxy)-4-methyl-2H-chromen-2-one | 分子名称: | 4-methyl-7-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methoxy]chromen-2-one, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Chebaiki, M, Maveyraud, L, Tamhaev, R, Lherbet, C, Mourey, L. | 登録日 | 2023-04-21 | 公開日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.962 Å) | 主引用文献 | Discovery of new diaryl ether inhibitors against Mycobacterium tuberculosis targeting the minor portal of InhA. Eur.J.Med.Chem., 259, 2023
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5F31
| Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with palmitate - P 42 21 2 space group | 分子名称: | ETHANOL, PALMITIC ACID, Phosphatidylinositol mannoside acyltransferase, ... | 著者 | Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E. | 登録日 | 2015-12-02 | 公開日 | 2016-03-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA. Nat Commun, 7, 2016
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5F2Z
| Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with palmitate - P21 space group | 分子名称: | PALMITIC ACID, Phosphatidylinositol mannoside acyltransferase | 著者 | Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E. | 登録日 | 2015-12-02 | 公開日 | 2016-03-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA. Nat Commun, 7, 2016
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5F2T
| Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with palmitate - C 2 space group | 分子名称: | MAGNESIUM ION, PALMITIC ACID, Phosphatidylinositol mannoside acyltransferase | 著者 | Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E. | 登録日 | 2015-12-02 | 公開日 | 2016-03-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA. Nat Commun, 7, 2016
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5F34
| Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with S-hexadecyl Coenzyme A - P21 space group | 分子名称: | Phosphatidylinositol mannoside acyltransferase, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{S})-4-[[3-(2-hexadecylsulfanylethylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate | 著者 | Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E. | 登録日 | 2015-12-02 | 公開日 | 2016-03-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.281 Å) | 主引用文献 | Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA. Nat Commun, 7, 2016
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6SQL
| Crystal structure of M. tuberculosis InhA in complex with NAD+ and N-(3-(aminomethyl)phenyl)-5-chloro-3-methylbenzo[b]thiophene-2-sulfonamide | 分子名称: | Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ~{N}-[3-(aminomethyl)phenyl]-5-chloranyl-3-methyl-1-benzothiophene-2-sulfonamide | 著者 | Mendes, V, Sabbah, M, Coyne, A.G, Abell, C, Blundell, T.L. | 登録日 | 2019-09-04 | 公開日 | 2020-04-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Fragment-Based Design ofMycobacterium tuberculosisInhA Inhibitors. J.Med.Chem., 63, 2020
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6SQB
| Crystal structure of M. tuberculosis InhA in complex with NAD+ and 3-(3-chlorophenyl)propanoic acid | 分子名称: | 3-(3-chlorophenyl)propanoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | 著者 | Mendes, V, Sabbah, M, Coyne, A.G, Abell, C, Blundell, T.L. | 登録日 | 2019-09-03 | 公開日 | 2020-04-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.774 Å) | 主引用文献 | Fragment-Based Design ofMycobacterium tuberculosisInhA Inhibitors. J.Med.Chem., 63, 2020
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6SQD
| Crystal structure of M. tuberculosis InhA in complex with NAD+ and 2-pyrazol-1-ylbenzoic acid | 分子名称: | 2-pyrazol-1-ylbenzoic acid, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Mendes, V, Sabbah, M, Coyne, A.G, Abell, C, Blundell, T.L. | 登録日 | 2019-09-03 | 公開日 | 2020-04-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Fragment-Based Design ofMycobacterium tuberculosisInhA Inhibitors. J.Med.Chem., 63, 2020
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6SQ9
| Crystal structure of M. tuberculosis InhA in complex with NAD+ and 3-hydroxynaphthalene-2-carboxylic acid | 分子名称: | 3-hydroxynaphthalene-2-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | 著者 | Mendes, V, Sabbah, M, Coyne, A.G, Abell, C, Blundell, T.L. | 登録日 | 2019-09-03 | 公開日 | 2020-04-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Fragment-Based Design ofMycobacterium tuberculosisInhA Inhibitors. J.Med.Chem., 63, 2020
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6SQ5
| Crystal structure of M. tuberculosis InhA in complex with NAD+ and 3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid | 分子名称: | (~{E})-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Mendes, V, Sabbah, M, Coyne, A.G, Abell, C, Blundell, T.L. | 登録日 | 2019-09-03 | 公開日 | 2020-04-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Fragment-Based Design ofMycobacterium tuberculosisInhA Inhibitors. J.Med.Chem., 63, 2020
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6SQ7
| Crystal structure of M. tuberculosis InhA in complex with NAD+ and 2-(4-chloro-3-nitrobenzoyl)benzoic acid | 分子名称: | 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoic acid, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Mendes, V, Sabbah, M, Coyne, A.G, Abell, C, Blundell, T.L. | 登録日 | 2019-09-03 | 公開日 | 2020-04-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Fragment-Based Design ofMycobacterium tuberculosisInhA Inhibitors. J.Med.Chem., 63, 2020
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