7NOR
 
 | | Crystal structure of Mycobacterium tuberculosis ArgF in complex with 2-fluoro-4-hydroxybenzonitrile. | | Descriptor: | 2-fluoro-4-hydroxybenzonitrile, Ornithine carbamoyltransferase, PHOSPHATE ION | | Authors: | Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. | | Deposit date: | 2021-02-25 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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4G2G
 | | Crystal structure of Mycobacterium tuberculosis CYP121 in complex with 4,4'-(1H-1,2,3-triazole-1,5-diyl)diphenol | | Descriptor: | 4,4'-(1H-1,2,3-triazole-1,5-diyl)diphenol, Cytochrome P450 121, DIMETHYL SULFOXIDE, ... | | Authors: | Hudson, S.A. | | Deposit date: | 2012-07-12 | | Release date: | 2012-09-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121
Angew.Chem.Int.Ed.Engl., 51, 2012
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4G1X
 | | Crystal structure of Mycobacterium tuberculosis CYP121 in complex with 4-(1H-1,2,4-triazol-1-yl)quinolin-6-amine | | Descriptor: | 4-(1H-1,2,4-triazol-1-yl)quinolin-6-amine, Cytochrome P450 121, DIMETHYL SULFOXIDE, ... | | Authors: | Hudson, S.A. | | Deposit date: | 2012-07-11 | | Release date: | 2012-09-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121
Angew.Chem.Int.Ed.Engl., 51, 2012
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4KTK
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7NLS
 | | Crystal structure of Mycobacterium tuberculosis ArgB in complex with methyl 4-hydroxy-3-iodobenzoate | | Descriptor: | Acetylglutamate kinase, SULFATE ION, methyl 3-iodanyl-4-oxidanyl-benzoate | | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | | Deposit date: | 2021-02-22 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.648 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NNQ
 | | Crystal structure of Mycobacterium tuberculosis ArgC in complex with nicotinamide adenine dinucleotide phosphate (NADP+) | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-acetyl-gamma-glutamyl-phosphate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Gupta, P, Mendes, V, Blundell, T.L. | | Deposit date: | 2021-02-25 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NLR
 | | Crystal structure of Mycobacterium tuberculosis ArgB in complex with 2-phenyl-1H-imidazole | | Descriptor: | 2-phenyl-1H-imidazole, Acetylglutamate kinase, SULFATE ION | | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | | Deposit date: | 2021-02-22 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.254 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NN8
 | | Crystal structure of Mycobacterium tuberculosis ArgB in complex with 1H-indole-3-carbonitrile. | | Descriptor: | 1,2-ETHANEDIOL, 1~{H}-indole-3-carbonitrile, Acetylglutamate kinase, ... | | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | | Deposit date: | 2021-02-24 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.267 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NLQ
 | | Crystal structure of Mycobacterium tuberculosis ArgB in complex with 2-(isoxazol-5-yl)phenol | | Descriptor: | 2-(1,2-oxazol-5-yl)phenol, Acetylglutamate kinase, SULFATE ION | | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | | Deposit date: | 2021-02-22 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.497 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NPH
 | | Crystal structure of Mycobacterium tuberculosis ArgC in complex with 5-methoxy-1,3-benzoxazole-2-carboxylic acid | | Descriptor: | 5-methoxy-1,3-benzoxazole-2-carboxylic acid, N-acetyl-gamma-glutamyl-phosphate reductase, PHOSPHATE ION | | Authors: | Gupta, P, Mendes, V, Blundell, T.L. | | Deposit date: | 2021-02-26 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NLN
 | | Crystal structure of Mycobacterium tuberculosis ArgB in complex with N-acetyl-glutamate | | Descriptor: | 1,2-ETHANEDIOL, Acetylglutamate kinase, N-ACETYL-L-GLUTAMATE | | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | | Deposit date: | 2021-02-22 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NNR
 | | Crystal structure of Mycobacterium tuberculosis ArgC in complex with xanthene-9-carboxylic acid | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 9~{H}-xanthene-9-carboxylic acid, N-acetyl-gamma-glutamyl-phosphate reductase | | Authors: | Gupta, P, Mendes, V, Blundell, T.L. | | Deposit date: | 2021-02-25 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NN1
 | | Crystal structure of Mycobacterium tuberculosis ArgD with prosthetic group pyridoxal 5'-phosphate | | Descriptor: | Acetylornithine aminotransferase, NITRATE ION | | Authors: | Gupta, P, Mendes, V, Blundell, T.L. | | Deposit date: | 2021-02-24 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NLY
 | | Crystal structure of Mycobacterium tuberculosis ArgB in complex with 2-Chlorobenzimidazole. | | Descriptor: | 2-chloranyl-1~{H}-benzimidazole, Acetylglutamate kinase, SULFATE ION | | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | | Deposit date: | 2021-02-22 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.246 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NPJ
 | | Crystal structure of Mycobacterium tuberculosis ArgC in complex with 6-phenoxy-3-pyridinamine | | Descriptor: | 6-phenoxy-3-pyridinamine, N-acetyl-gamma-glutamyl-phosphate reductase | | Authors: | Gupta, P, Mendes, V, Blundell, T.L. | | Deposit date: | 2021-02-27 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NOT
 | | Crystal structure of Mycobacterium tuberculosis ArgC in complex with nicotinamide adenine dinucleotide phosphate (NADP+) and 5-Methoxy-3-indoleacetic acid | | Descriptor: | (5-methoxy-1H-indol-3-yl)acetic acid, N-acetyl-gamma-glutamyl-phosphate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Gupta, P, Mendes, V, Blundell, T.L. | | Deposit date: | 2021-02-25 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NLT
 | | Crystal structure of Mycobacterium tuberculosis ArgB in complex with 4-(4-methylpiperazin-1-yl)benzoic acid | | Descriptor: | 4-(4-methylpiperazin-1-yl)benzoic acid, Acetylglutamate kinase, SULFATE ION | | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | | Deposit date: | 2021-02-22 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.225 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NLP
 | | Crystal structure of Mycobacterium tuberculosis ArgB in complex with L-canavanine | | Descriptor: | Acetylglutamate kinase, L-CANAVANINE, SULFATE ION | | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | | Deposit date: | 2021-02-22 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.213 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NNB
 | | Crystal structure of Mycobacterium tuberculosis ArgB in complex with 2,8-bis(trifluoromethyl)quinolin-4-ol. | | Descriptor: | 1,2-ETHANEDIOL, 2,8-bis(trifluoromethyl)quinolin-4-ol, Acetylglutamate kinase, ... | | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | | Deposit date: | 2021-02-24 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.186 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NLX
 | | Crystal structure of Mycobacterium tuberculosis ArgB in complex with 7-(trifluoromethyl)quinolin-4-ol. | | Descriptor: | 7-(trifluoromethyl)quinolin-4-ol, Acetylglutamate kinase, SULFATE ION | | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | | Deposit date: | 2021-02-22 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.234 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NLW
 | | Crystal structure of Mycobacterium tuberculosis ArgB in complex with 2-(5-methoxy-1H-indol-3-yl)acetonitrile | | Descriptor: | 2-(5-methoxy-1~{H}-indol-3-yl)ethanenitrile, Acetylglutamate kinase, SULFATE ION | | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | | Deposit date: | 2021-02-22 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NN4
 | | Crystal structure of Mycobacterium tuberculosis ArgD with prosthetic group pyridoxal 5'-phosphate and 3-hydroxy-2-naphthoic acid. | | Descriptor: | 3-hydroxynaphthalene-2-carboxylic acid, Acetylornithine aminotransferase, NITRATE ION | | Authors: | Gupta, P, Mendes, V, Blundell, T.L. | | Deposit date: | 2021-02-24 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NLF
 | | Crystal structure of Mycobacterium tuberculosis ArgB in apo form. | | Descriptor: | 1,2-ETHANEDIOL, Acetylglutamate kinase, SULFATE ION | | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | | Deposit date: | 2021-02-22 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NLU
 | | Crystal structure of Mycobacterium tuberculosis ArgB in complex with 1-(1H-indol-3-yl)ethan-1-one | | Descriptor: | 1-(1~{H}-indol-3-yl)ethanone, Acetylglutamate kinase, SULFATE ION | | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | | Deposit date: | 2021-02-22 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.235 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NLO
 | | Crystal structure of Mycobacterium tuberculosis ArgB in complex with L-arginine | | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ARGININE, ... | | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | | Deposit date: | 2021-02-22 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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