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5J3L
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BU of 5j3l by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with 1-((2-cyclopentylethyl)sulfonyl)pyrrolidine at 1.66A resolution
分子名称: 1-[(2-cyclopentylethyl)sulfonyl]pyrrolidine, HTH-type transcriptional regulator EthR
著者Blaszczyk, M, Surade, S, Nikiforov, P.O, Abell, C, Blundell, T.L.
登録日2016-03-31
公開日2017-03-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays.
ACS Chem. Biol., 12, 2017
5GVX
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BU of 5gvx by Molmil
Structural insight into dephosphorylation by Trehalose 6-phosphate Phosphatase (OtsB2) from Mycobacterium Tuberculosis
分子名称: MAGNESIUM ION, Trehalose-phosphate phosphatase
著者Shan, S, Min, H, Liu, T, Jiang, D, Rao, Z.
登録日2016-09-07
公開日2017-09-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.596 Å)
主引用文献Structural insight into dephosphorylation by trehalose 6-phosphate phosphatase (OtsB2) from Mycobacterium tuberculosis.
FASEB J., 30, 2016
5JZX
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BU of 5jzx by Molmil
Crystal Structure of UDP-N-acetylenolpyruvoylglucosamine reductase (MurB) from Mycobacterium tuberculosis
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, POTASSIUM ION, UDP-N-acetylenolpyruvoylglucosamine reductase
著者Dharavath, S, Eniyan, K, Bajpai, U, Gourinath, S.
登録日2016-05-17
公開日2017-05-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of UDP-N-acetylglucosamine-enolpyruvate reductase (MurB) from Mycobacterium tuberculosis
Biochim. Biophys. Acta, 1866, 2017
4Z0M
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BU of 4z0m by Molmil
EchA5 Mycobacterium tuberculosis
分子名称: Enoyl-CoA hydratase
著者Chaudhary, S, Gokhale, R.S.
登録日2015-03-26
公開日2016-02-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Unsaturated Lipid Assimilation by Mycobacteria Requires Auxiliary cis-trans Enoyl CoA Isomerase
Chem.Biol., 22, 2015
5GG5
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BU of 5gg5 by Molmil
Crystal structure of Mycobacterium smegmatis MutT1
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Hydrolase, ...
著者Arif, S.M, Patil, A.G, Varshney, U, Vijayan, M.
登録日2016-06-15
公開日2017-04-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Biochemical and structural studies of Mycobacterium smegmatis MutT1, a sanitization enzyme with unusual modes of association
Acta Crystallogr D Struct Biol, 73, 2017
5GG8
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BU of 5gg8 by Molmil
Crystal structure of Mycobacterium smegmatis MutT1 in complex with 8-oxo-dGTP, 8-oxo-dGMP and pyrophosphate (II)
分子名称: 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Hydrolase, ...
著者Arif, S.M, Patil, A.G, Varshney, U, Vijayan, M.
登録日2016-06-15
公開日2017-04-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Biochemical and structural studies of Mycobacterium smegmatis MutT1, a sanitization enzyme with unusual modes of association
Acta Crystallogr D Struct Biol, 73, 2017
5GG9
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BU of 5gg9 by Molmil
Crystal structure of Mycobacterium smegmatis MutT1 in complex with 8-oxo-GTP, 8-oxo-GMP and pyrophosphate
分子名称: 8-OXO-GUANOSINE-5'-TRIPHOSPHATE, Hydrolase, NUDIX family protein, ...
著者Arif, S.M, Patil, A.G, Varshney, U, Vijayan, M.
登録日2016-06-15
公開日2017-04-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Biochemical and structural studies of Mycobacterium smegmatis MutT1, a sanitization enzyme with unusual modes of association
Acta Crystallogr D Struct Biol, 73, 2017
2VHX
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BU of 2vhx by Molmil
Crystal structure of the ternary complex of L-alanine dehydrogenase from Mycobacterium tuberculosis with NAD+ and pyruvate
分子名称: ALANINE DEHYDROGENASE, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Agren, D, Schneider, G.
登録日2007-11-26
公開日2008-03-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Three-Dimensional Structures of Apo- and Holo-L-Alanine Dehydrogenase from Mycobacterium Tuberculosis Reveal Conformational Changes Upon Coenzyme Binding.
J.Mol.Biol., 377, 2008
5GGA
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BU of 5gga by Molmil
Crystal structure of Mycobacterium smegmatis MutT1 in complex with 8-oxo-GDP, 8-oxo-GMP and pyrophosphate
分子名称: Hydrolase, NUDIX family protein, MAGNESIUM ION, ...
著者Arif, S.M, Patil, A.G, Varshney, U, Vijayan, M.
登録日2016-06-15
公開日2017-04-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Biochemical and structural studies of Mycobacterium smegmatis MutT1, a sanitization enzyme with unusual modes of association
Acta Crystallogr D Struct Biol, 73, 2017
5GGD
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BU of 5ggd by Molmil
Crystal structure of Mycobacterium smegmatis MutT1 in complex with phosphate and magnesium ions (excess magnesium, II)
分子名称: Hydrolase, NUDIX family protein, MAGNESIUM ION, ...
著者Arif, S.M, Patil, A.G, Varshney, U, Vijayan, M.
登録日2016-06-15
公開日2017-04-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Biochemical and structural studies of Mycobacterium smegmatis MutT1, a sanitization enzyme with unusual modes of association
Acta Crystallogr D Struct Biol, 73, 2017
9C1C
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BU of 9c1c by Molmil
Mycobacterium tuberculosis PKS13 acyltransferase serine converted to beta-lactam form by CEC215 via SuFEx reaction
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Tang, S, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2024-05-29
公開日2025-05-21
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Mycobacterium tuberculosis PKS13 acyltransferase serine converted to beta-lactam form by CEC215 via SuFEx reaction
To Be Published
6DE5
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BU of 6de5 by Molmil
Mycobacterium tuberculosis Rv2671 complexed with beta-NADPH and 6-ethyl-5-{(3S)-3-[2-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine
分子名称: 6-ethyl-5-{(3S)-3-[2-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, riboflavin biosynthesis protein RibD
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 (2.3 Å)
主引用文献Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents.
Cell Chem Biol, 26, 2019
5MPV
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BU of 5mpv by Molmil
Crystal structure of a Mycobacterium tuberculosis chorismate mutase optimized for high autonomous activity by directed evolution
分子名称: Intracellular chorismate mutase
著者Thorbjornsrud, H.V, Kamarauskaite, J, Kast, P, Krengel, U.
登録日2016-12-19
公開日2018-08-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Evolving the naturally compromised chorismate mutase from Mycobacterium tuberculosis to top performance.
J.Biol.Chem., 295, 2020
3M6C
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BU of 3m6c by Molmil
Crystal structure of Mycobacterium tuberculosis GroEL1 apical domain
分子名称: 60 kDa chaperonin 1
著者Tsai, F.T.F, Sielaff, B, Lee, K.
登録日2010-03-15
公開日2010-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and functional conservation of Mycobacterium tuberculosis GroEL paralogs suggests that GroEL1 Is a chaperonin.
J.Mol.Biol., 405, 2011
3NOF
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BU of 3nof by Molmil
Mycobacterium tuberculosis thioredoxin C C40S mutant
分子名称: THIOCYANATE ION, Thioredoxin TrxC
著者Hall, G, Emsley, J.
登録日2010-06-25
公開日2010-11-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of Mycobacterium tuberculosis thioredoxin in complex with quinol inhibitor PMX464
Protein Sci., 20, 2011
5CXI
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BU of 5cxi by Molmil
Crystal structure of Mycobacterium tuberculosis KstR in complex with 3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA (4-BNC-CoA)
分子名称: 3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA, HTH-type transcriptional repressor KstR
著者Ho, N.A.T, Dawes, S, Kendall, S, Casabon, I, Crowe, A.M, Baker, E.N, Eltis, L.D, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
登録日2015-07-29
公開日2016-02-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Structure of the Transcriptional Repressor KstR in Complex with CoA Thioester Cholesterol Metabolites Sheds Light on the Regulation of Cholesterol Catabolism in Mycobacterium tuberculosis.
J.Biol.Chem., 291, 2016
6CZD
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BU of 6czd by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with adenosine diphosphate
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent dethiobiotin synthetase BioD, MAGNESIUM ION
著者Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W.
登録日2018-04-09
公開日2018-10-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Precipitant-ligand exchange technique reveals the ADP binding mode in Mycobacterium tuberculosis dethiobiotin synthetase.
Acta Crystallogr D Struct Biol, 74, 2018
4QDT
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BU of 4qdt by Molmil
Crystal structure of Antigen 85C co-crystallized with iodoacetamide
分子名称: Diacylglycerol acyltransferase/mycolyltransferase Ag85C
著者Favrot, L, Lajiness, D.H, Ronning, D.R.
登録日2014-05-14
公開日2014-07-09
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.498 Å)
主引用文献Inactivation of the Mycobacterium tuberculosis Antigen 85 Complex by Covalent, Allosteric Inhibitors.
J.Biol.Chem., 289, 2014
5KDE
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BU of 5kde by Molmil
Inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with inhibitor 1 and inorganic pyrophosphate
分子名称: 2,4-bis(aziridin-1-yl)-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine, Inorganic pyrophosphatase, PYROPHOSPHATE 2-
著者Pang, A.H, Garzan, A, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2016-06-08
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery of Allosteric and Selective Inhibitors of Inorganic Pyrophosphatase from Mycobacterium tuberculosis.
ACS Chem. Biol., 11, 2016
2UZH
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BU of 2uzh by Molmil
Mycobacterium smegmatis 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase (IspF)
分子名称: 1,2-ETHANEDIOL, 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNTHASE, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ...
著者Buetow, L, Brown, A.C, Parish, T, Hunter, W.N.
登録日2007-04-27
公開日2007-11-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Structure of Mycobacteria 2C-Methyl-D-Erythritol-2,4-Cyclodiphosphate Synthase, an Essential Enzyme, Provides a Platform for Drug Discovery.
Bmc Struct.Biol., 7, 2007
5KGS
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BU of 5kgs by Molmil
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
分子名称: 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, ...
著者Maize, K.M, Aldrich, C.C, Finzel, B.C.
登録日2016-06-13
公開日2017-06-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis.
J. Med. Chem., 60, 2017
5KDF
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BU of 5kdf by Molmil
Inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with inhibitor 6 and inorganic pyrophosphate
分子名称: CALCIUM ION, Inorganic pyrophosphatase, PYROPHOSPHATE 2-, ...
著者Pang, A.H, Garzan, A, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2016-06-08
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery of Allosteric and Selective Inhibitors of Inorganic Pyrophosphatase from Mycobacterium tuberculosis.
ACS Chem. Biol., 11, 2016
5KGT
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BU of 5kgt by Molmil
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
分子名称: 1-[4-[4-(3-chlorophenyl)carbonylpiperidin-1-yl]phenyl]ethanone, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE
著者Maize, K.M, Divakaran, A, Aldrich, C.C, Finzel, B.C.
登録日2016-06-13
公開日2017-06-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis.
J. Med. Chem., 60, 2017
4QDZ
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BU of 4qdz by Molmil
Crystal structure of Antigen 85C-E228Q mutant
分子名称: ACETATE ION, Diacylglycerol acyltransferase/mycolyltransferase Ag85C, HEXAETHYLENE GLYCOL
著者Favrot, L, Lajiness, D.H, Ronning, D.R.
登録日2014-05-14
公開日2014-07-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.885 Å)
主引用文献Inactivation of the Mycobacterium tuberculosis Antigen 85 Complex by Covalent, Allosteric Inhibitors.
J.Biol.Chem., 289, 2014
2WHI
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BU of 2whi by Molmil
Crystal structure of Mycobacterium Tuberculosis Glutamine Synthetase in complex with a purine analogue inhibitor and L-methionine-S- sulfoximine phosphate.
分子名称: 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione, CHLORIDE ION, GLUTAMINE SYNTHETASE 1, ...
著者Nilsson, M.T, Krajewski, W.W, Jones, T.A, Mowbray, S.L.
登録日2009-05-05
公開日2009-09-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis for the Inhibition of Mycobacterium Tuberculosis Glutamine Synthetase by Novel ATP-Competitive Inhibitors.
J.Mol.Biol., 393, 2009

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