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7DDV
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BU of 7ddv by Molmil
Crystal structure of M.tuberculosis imidazole glycerol phosphate dehydratase in complex with an inhibitor
分子名称: (1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine, CHLORIDE ION, GLYCEROL, ...
著者Tiwari, S, Pal, R.K, Biswal, B.K.
登録日2020-10-29
公開日2021-11-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of M.tuberculosis imidazole glycerol phosphate dehydratase in complex with an inhibitor
To Be Published
7DNQ
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BU of 7dnq by Molmil
Crystal structure of M.tuberculosis imidazole glycerol phosphate dehydratase in complex with an inhibitor
分子名称: 1,2-ETHANEDIOL, 2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine, CHLORIDE ION, ...
著者Tiwari, S, Pal, R.K, Biswal, B.K.
登録日2020-12-10
公開日2021-12-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Crystal structure of M.tuberculosis imidazole glycerol phosphate dehydratase in complex with an inhibitor
To Be Published
7FCY
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BU of 7fcy by Molmil
Crystal structure of M.tuberculosis imidazole glycerol phosphate dehydratase in complex with an inhibitor
分子名称: (1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Tiwari, S, Pal, R.K, Biswal, B.K.
登録日2021-07-15
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.848 Å)
主引用文献Crystal structure of M.tuberculosis imidazole glycerol phosphate dehydratase in complex with an inhibitor
To Be Published
6L7D
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BU of 6l7d by Molmil
Mycobacterium tuberculosis enolase mutant - S42A
分子名称: 1,2-ETHANEDIOL, 2-PHOSPHOGLYCERIC ACID, ACETATE ION, ...
著者Ahmad, M, Jha, B, Tiwari, S, Dwivedy, A, Biswal, B.K.
登録日2019-11-01
公開日2020-11-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis.
Iucrj, 10, 2023
7CLL
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BU of 7cll by Molmil
Mycobacterium tubeculosis enolase in complex with 2-Phosphoglycerate
分子名称: 2-PHOSPHOGLYCERIC ACID, ACETATE ION, CHLORIDE ION, ...
著者Ahmad, M, Jha, B, Tiwari, S, Pal, R.K, Biswal, B.K.
登録日2020-07-21
公開日2021-07-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis.
Iucrj, 10, 2023
7CLK
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BU of 7clk by Molmil
Mycobacterium tuberculosis enolase in complex with alternate 2-phosphoglycerate
分子名称: 1,2-ETHANEDIOL, 2-PHOSPHOGLYCERIC ACID, ACETATE ION, ...
著者Ahmad, M, Jha, B, Tiwari, S, Pal, R.K, Biswal, B.K.
登録日2020-07-21
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis.
Iucrj, 10, 2023
4P86
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BU of 4p86 by Molmil
Structure of PyrR protein from Bacillus subtilis with GMP
分子名称: Bifunctional protein PyrR, GLYCEROL, GUANOSINE-5'-MONOPHOSPHATE
著者Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A.
登録日2014-03-30
公開日2014-12-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
4P84
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BU of 4p84 by Molmil
Structure of engineered PyrR protein (VIOLET PyrR)
分子名称: Bifunctional protein PyrR, GLYCEROL, SULFATE ION
著者Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A.
登録日2014-03-30
公開日2014-12-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
4P80
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BU of 4p80 by Molmil
Structure of ancestral PyrR protein (AncGREENPyrR)
分子名称: Ancestral PyrR protein (Green), SULFATE ION
著者Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A.
登録日2014-03-29
公開日2014-12-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
4P81
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BU of 4p81 by Molmil
Structure of ancestral PyrR protein (AncORANGEPyrR)
分子名称: Ancestral PyrR protein (Orange), GLYCEROL, SULFATE ION
著者Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A.
登録日2014-03-29
公開日2014-12-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
4P82
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BU of 4p82 by Molmil
Structure of PyrR protein from Bacillus subtilis
分子名称: Bifunctional protein PyrR, SULFATE ION
著者Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A.
登録日2014-03-30
公開日2014-12-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
4P3K
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BU of 4p3k by Molmil
Structure of ancestral PyrR protein (PLUMPyrR)
分子名称: Ancestral PyrR protein (Plum), PENTAETHYLENE GLYCOL, SODIUM ION, ...
著者Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A.
登録日2014-03-08
公開日2014-12-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
4P83
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BU of 4p83 by Molmil
Structure of engineered PyrR protein (PURPLE PyrR)
分子名称: Engineered PyrR protein (Purple), URIDINE-5'-MONOPHOSPHATE
著者Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A.
登録日2014-03-30
公開日2014-12-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
2F4W
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BU of 2f4w by Molmil
Human ubiquitin-conjugating enzyme E2 J2
分子名称: ubiquitin-conjugating enzyme E2, J2
著者Walker, J.R, Avvakumov, G.V, Xue, S, Finerty Jr, P.J, Newman, E.M, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2005-11-24
公開日2005-12-27
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
7E51
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BU of 7e51 by Molmil
Structure of PEP bound Enolase from Mycobacterium tuberculosis
分子名称: Enolase, MAGNESIUM ION, PHOSPHOENOLPYRUVATE
著者Bose, S, Vinothkumar, K.R.
登録日2021-02-16
公開日2022-02-16
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (3.23 Å)
主引用文献Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis.
Iucrj, 10, 2023
7E4X
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BU of 7e4x by Molmil
Structure of Enolase from Mycobacterium tuberculosis
分子名称: Enolase
著者Bose, S, Vinothkumar, K.R.
登録日2021-02-15
公開日2022-02-16
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis.
Iucrj, 10, 2023
7CKP
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BU of 7ckp by Molmil
Mycobacterium tuberculosis Enolase
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Enolase, MAGNESIUM ION
著者Biswal, B.K, Ahmad, M, Jha, B.
登録日2020-07-18
公開日2021-07-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis.
Iucrj, 10, 2023
7DLR
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BU of 7dlr by Molmil
Mycobacterium tuberculosis enolase mutant - E163A
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Ahmad, M, Biswal, B.K.
登録日2020-11-30
公開日2021-12-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis.
Iucrj, 10, 2023
7E4F
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BU of 7e4f by Molmil
Mycobacterium tuberculosis enolase mutant - E204A complex with phosphoenolpyruvate
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Ahmad, M, Pal, R.K, Biswal, B.K.
登録日2021-02-11
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis.
Iucrj, 10, 2023
7NLY
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BU of 7nly by Molmil
Crystal structure of Mycobacterium tuberculosis ArgB in complex with 2-Chlorobenzimidazole.
分子名称: 2-chloranyl-1~{H}-benzimidazole, Acetylglutamate kinase, SULFATE ION
著者Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L.
登録日2021-02-22
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.246 Å)
主引用文献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
7NOS
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BU of 7nos by Molmil
Crystal structure of Mycobacterium tuberculosis ArgF in complex with 4-bromo-6-(trifluoromethyl)-1H-benzo[d]imidazole.
分子名称: 4-bromanyl-6-(trifluoromethyl)-1~{H}-benzimidazole, Ornithine carbamoyltransferase, PHOSPHATE ION
著者Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L.
登録日2021-02-25
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献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
7NNF
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BU of 7nnf by Molmil
Crystal structure of Mycobacterium tuberculosis ArgF in apo form.
分子名称: Ornithine carbamoyltransferase, PHOSPHATE ION
著者Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L.
登録日2021-02-24
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献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
7NLS
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BU of 7nls by Molmil
Crystal structure of Mycobacterium tuberculosis ArgB in complex with methyl 4-hydroxy-3-iodobenzoate
分子名称: Acetylglutamate kinase, SULFATE ION, methyl 3-iodanyl-4-oxidanyl-benzoate
著者Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L.
登録日2021-02-22
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.648 Å)
主引用文献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
7NLT
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BU of 7nlt by Molmil
Crystal structure of Mycobacterium tuberculosis ArgB in complex with 4-(4-methylpiperazin-1-yl)benzoic acid
分子名称: 4-(4-methylpiperazin-1-yl)benzoic acid, Acetylglutamate kinase, SULFATE ION
著者Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L.
登録日2021-02-22
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.225 Å)
主引用文献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
7NNQ
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BU of 7nnq by Molmil
Crystal structure of Mycobacterium tuberculosis ArgC in complex with nicotinamide adenine dinucleotide phosphate (NADP+)
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-acetyl-gamma-glutamyl-phosphate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Gupta, P, Mendes, V, Blundell, T.L.
登録日2021-02-25
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献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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