1Y7H
| Structural and biochemical studies identify tobacco SABP2 as a methylsalicylate esterase and further implicate it in plant innate immunity, Northeast Structural Genomics Target AR2241 | Descriptor: | THIOCYANATE ION, salicylic acid-binding protein 2 | Authors: | Forouhar, F, Yang, Y, Kumar, D, Chen, Y, Fridman, E, Park, S.W, Chiang, Y, Acton, T.B, Montelione, G.T, Pichersky, E, Klessig, D.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2004-12-08 | Release date: | 2004-12-28 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Structural and biochemical studies identify tobacco SABP2 as a methyl salicylate esterase and implicate it in plant innate immunity Proc.Natl.Acad.Sci.Usa, 102, 2005
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1Y7I
| Structural and biochemical studies identify tobacco SABP2 as a methylsalicylate esterase and further implicate it in plant innate immunity, Northeast Structural Genomics Target AR2241 | Descriptor: | 2-HYDROXYBENZOIC ACID, salicylic acid-binding protein 2 | Authors: | Forouhar, F, Yang, Y, Kumar, D, Chen, Y, Fridman, E, Park, S.W, Chiang, Y, Acton, T.B, Montelione, G.T, Pichersky, E, Klessig, D.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2004-12-08 | Release date: | 2004-12-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and biochemical studies identify tobacco SABP2 as a methyl salicylate esterase and implicate it in plant innate immunity Proc.Natl.Acad.Sci.USA, 102, 2005
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4W1W
| Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with 7-(diethylamino)-3-(thiophene-2-carbonyl)-2H-chromen-2-one | Descriptor: | 1,2-ETHANEDIOL, 7-(diethylamino)-3-(thiophen-2-ylcarbonyl)-2H-chromen-2-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... | Authors: | Finzel, B.C, Ran, D. | Deposit date: | 2014-08-13 | Release date: | 2015-02-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis. Chem.Biol., 22, 2015
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4W1V
| Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a thiazole inhibitor | Descriptor: | 1,2-ETHANEDIOL, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, CHLORIDE ION, ... | Authors: | Finzel, B.C, Dai, R. | Deposit date: | 2014-08-13 | Release date: | 2015-02-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis. Chem.Biol., 22, 2015
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4W1X
| Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with 1-(4-(4-(3-chlorobenzoyl)piperazin-1-yl)phenyl)ethanone | Descriptor: | 1,2-ETHANEDIOL, 1-{4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl}ethanone, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... | Authors: | Finzel, B.C, Dai, R. | Deposit date: | 2014-08-13 | Release date: | 2015-02-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis. Chem.Biol., 22, 2015
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7YO8
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7YO9
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4WYD
| Adenosylmethionine-8-amino-7-oxononanoate aminotransferase from Mycobacterium tuberculosis complexed with a fragment from DSF screening | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... | Authors: | Dai, R, Finzel, B.C, Geders, T.W. | Deposit date: | 2014-11-17 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA. J.Med.Chem., 58, 2015
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5KGT
| Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead: 1-[4-[4-(3-chlorophenyl)carbonylpiperidin-1-yl]phenyl]ethanone | Descriptor: | 1-[4-[4-(3-chlorophenyl)carbonylpiperidin-1-yl]phenyl]ethanone, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Maize, K.M, Divakaran, A, Aldrich, C.C, Finzel, B.C. | Deposit date: | 2016-06-13 | Release date: | 2017-06-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis. J. Med. Chem., 60, 2017
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5KGS
| Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead: 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one | Descriptor: | 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Maize, K.M, Aldrich, C.C, Finzel, B.C. | Deposit date: | 2016-06-13 | Release date: | 2017-06-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis. J. Med. Chem., 60, 2017
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2VKS
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2VJW
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4WYF
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4WYC
| Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a thiazole benzamide inhibitor | Descriptor: | 1,2-ETHANEDIOL, 4-(1H-imidazol-1-yl)benzamide, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... | Authors: | Finzel, B.C, Dai, R, Geders, T.W. | Deposit date: | 2014-11-17 | Release date: | 2015-07-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA. J.Med.Chem., 58, 2015
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4WYG
| Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis complexed with a fragment hit | Descriptor: | 1,2-ETHANEDIOL, 1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Dai, R, Finzel, B.C. | Deposit date: | 2014-11-17 | Release date: | 2015-07-08 | Last modified: | 2015-07-22 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA. J.Med.Chem., 58, 2015
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4WYA
| Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a fragment hit | Descriptor: | 5-(pyridin-2-yl)thiophene-2-carboxamide, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Finzel, B.C, Dai, D, Geders, T.W. | Deposit date: | 2014-11-17 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA. J.Med.Chem., 58, 2015
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4WYE
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4XJO
| Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead | Descriptor: | 1,2-ETHANEDIOL, 5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-inden-1-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... | Authors: | Finzel, B.C, Dai, R. | Deposit date: | 2015-01-08 | Release date: | 2016-01-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis. J. Med. Chem., 60, 2017
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4XJP
| Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead | Descriptor: | 1,2-ETHANEDIOL, 1-{4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]phenyl}ethanone, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... | Authors: | Finzel, B.C, Dai, R. | Deposit date: | 2015-01-08 | Release date: | 2016-01-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis. J. Med. Chem., 60, 2017
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4XEW
| Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a HTS lead compound | Descriptor: | 6-(2-fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8(5H)-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Finzel, B.C, Dai, R. | Deposit date: | 2014-12-25 | Release date: | 2015-07-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA. J.Med.Chem., 58, 2015
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3TFT
| Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, pre-reaction complex with a 3,6-dihydropyrid-2-one heterocycle inhibitor | Descriptor: | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, DIMETHYL SULFOXIDE, PYRIDOXAL-5'-PHOSPHATE | Authors: | Geders, T.W, Finzel, B.C. | Deposit date: | 2011-08-16 | Release date: | 2011-10-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Mechanism-based Inactivation by Aromatization of the Transaminase BioA Involved in Biotin Biosynthesis in Mycobaterium tuberculosis. J.Am.Chem.Soc., 133, 2011
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3TFU
| Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, post-reaction complex with a 3,6-dihydropyrid-2-one heterocycle inhibitor | Descriptor: | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, DIMETHYL SULFOXIDE, [5-hydroxy-4-({[6-(3-hydroxypropyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate | Authors: | Geders, T.W, Finzel, B.C. | Deposit date: | 2011-08-16 | Release date: | 2011-10-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Mechanism-based Inactivation by Aromatization of the Transaminase BioA Involved in Biotin Biosynthesis in Mycobaterium tuberculosis. J.Am.Chem.Soc., 133, 2011
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