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3T55
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BU of 3t55 by Molmil
Crystal structure of Mycobacterium tuberculosis Indole Glycerol Phosphate Synthase (IGPS) in complex with Phenoxymethyl Benzoic Acid (PMBA)
分子名称: 3-(phenoxymethyl)benzoic acid, Indole-3-glycerol phosphate synthase, MALONATE ION, ...
著者Reddy, M.C.M, Bruning, J.B, Thurman, C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2011-07-26
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural Insights and Inhibition of Mycobacterium tuberculosis Indole Glycerol Phosphate Synthase (IGPS): an Essential Enzyme for Tryptophan Biosynthesis
To be Published
3ORL
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BU of 3orl by Molmil
Mycobacterium tuberculosis PknB kinase domain L33D mutant (crystal form 3)
分子名称: MANGANESE (II) ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine protein kinase
著者Echols, N, Lombana, T.N, Thomsen, N.D, Ng, H.-L, Alber, T, TB Structural Genomics Consortium (TBSGC)
登録日2010-09-07
公開日2010-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Allosteric activation mechanism of the Mycobacterium tuberculosis receptor Ser/Thr kinase, PknB
Structure, 18, 2010
3ORP
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BU of 3orp by Molmil
Mycobacterium tuberculosis PknB kinase domain L33D mutant (crystal form 5)
分子名称: PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine protein kinase
著者Good, M.C, Echols, N, Lombana, T.N, Alber, T, TB Structural Genomics Consortium (TBSGC)
登録日2010-09-07
公開日2010-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Allosteric activation mechanism of the Mycobacterium tuberculosis receptor Ser/Thr kinase, PknB
Structure, 18, 2010
3VFH
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BU of 3vfh by Molmil
BlaC E166A CDC-1 Acyl-Intermediate
分子名称: (2R)-5-methylidene-2-{(1R)-2-oxo-1-[(phenylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Mire, J.A, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2012-01-09
公開日2012-09-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献BlaC-Specific Fluorogenic Probes for Rapid Tuberculosis Detection
To be Published
3VFF
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BU of 3vff by Molmil
BlaC E166A CDC-OMe Acyl-Intermediate Complex
分子名称: (2R)-2-[(1S)-1-(benzoylamino)-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Mire, J.A, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2012-01-09
公開日2012-09-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.777 Å)
主引用文献BlaC-Specific Fluorogenic Probes for Rapid Tuberculosis Detection
To be Published
3QJA
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BU of 3qja by Molmil
Crystal Structure of the Mycobacterium tuberculosis Indole-3-glycerol phosphate synthase (TrpC) in apo form
分子名称: Indole-3-glycerol phosphate synthase, SULFATE ION
著者Reddy, M.C.M, Bruning, J.B, Thurman, C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2011-01-28
公開日2011-06-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Small-molecule scaffolds for Mycobacterium tuberculosis Indole Glycerol Phosphate Synthase (IGPS) inhibitors identified by high-throughput screening and defined by X-ray crystallography
To be Published
3Q0J
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BU of 3q0j by Molmil
Crystal Structure of the Mycobacterium tuberculosis Crotonase in complex with the Inhibitor AcetoacetylCoA
分子名称: ACETOACETYL-COENZYME A, enoyl-CoA hydratase echA8
著者Bruning, J.B, Delgado, E, Ghosh, S, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2010-12-15
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure and Mechanism of the Prokaryotic Crotonase
To be Published
3UNO
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BU of 3uno by Molmil
Mycobacterium tuberculosis ferritin homolog, BfrB
分子名称: Probable bacterioferritin BfrB
著者McMath, L.M, Contreras, H, Goulding, C.W, TB Structural Genomics Consortium (TBSGC)
登録日2011-11-16
公開日2012-11-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Mycobacterium tuberculosis ferritin homolog, BfrB
To be Published
3PZK
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BU of 3pzk by Molmil
Crystal Structure of the Mycobacterium tuberculosis crotonase in apo form
分子名称: SULFATE ION, e enoyl-CoA hydratase echA8
著者Bruning, J.B, Delgado, E, Ghosh, S, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2010-12-14
公開日2011-03-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2303 Å)
主引用文献Crystal Structure of the Prokaryotic Crotonase
To be Published
3QJ7
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BU of 3qj7 by Molmil
Crystal Structure of the Mycobacterium tuberculosis Thymidylate synthase (ThyA) bound to dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, SPERMINE, Thymidylate synthase
著者Reddy, M.C.M, Bruning, J.B, Harshbarger, W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2011-01-28
公開日2011-06-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.504 Å)
主引用文献Crystal structure of binary and ternary complexes of thymidylate synthase (ThyA) from Mycobacterium tuberculosis: insights into the selectivity and mode of inhibition
To be Published
3QR9
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BU of 3qr9 by Molmil
Anthranilate phosphoribosyltransferase (trpD) from Mycobacterium tuberculosis (apo structure)
分子名称: Anthranilate phosphoribosyltransferase, GLYCEROL
著者Castell, A, Short, F.L, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
登録日2011-02-17
公開日2011-06-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献The Substrate Capture Mechanism of Mycobacterium tuberculosis Anthranilate Phosphoribosyltransferase Provides a Mode for Inhibition.
Biochemistry, 52, 2013
3RV9
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BU of 3rv9 by Molmil
Structure of a M. tuberculosis Salicylate Synthase, MbtI, in Complex with an Inhibitor with Ethyl R-Group
分子名称: 3-{[(1Z)-1-carboxybut-1-en-1-yl]oxy}-2-hydroxybenzoic acid, Isochorismate synthase/isochorismate-pyruvate lyase mbtI
著者Chi, G, Bulloch, E.M.M, Manos-Turvey, A, Payne, R.J, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
登録日2011-05-06
公開日2012-05-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis
Biochemistry, 51, 2012
3RV8
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BU of 3rv8 by Molmil
Structure of a M. tuberculosis Salicylate Synthase, MbtI, in Complex with an Inhibitor with Cyclopropyl R-Group
分子名称: 3-{[(E)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid, 3-{[(Z)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid, Isochorismate synthase/isochorismate-pyruvate lyase mbtI
著者Chi, G, Bulloch, E.M.M, Manos-Turvey, A, Payne, R.J, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
登録日2011-05-06
公開日2012-05-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis
Biochemistry, 51, 2012
3RV6
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BU of 3rv6 by Molmil
Structure of a M. tuberculosis Salicylate Synthase, MbtI, in Complex with an Inhibitor with Phenyl R-Group
分子名称: 3-{[(E)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid, 3-{[(Z)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid, Isochorismate synthase/isochorismate-pyruvate lyase mbtI, ...
著者Chi, G, Bulloch, E.M.M, Manos-Turvey, A, Payne, R.J, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
登録日2011-05-06
公開日2012-05-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis
Biochemistry, 51, 2012
3RV7
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BU of 3rv7 by Molmil
Structure of a M. tuberculosis Salicylate Synthase, MbtI, in Complex with an Inhibitor with Isopropyl R-Group
分子名称: 3-{[(1Z)-1-carboxy-3-methylbut-1-en-1-yl]oxy}-2-hydroxybenzoic acid, Isochorismate synthase/isochorismate-pyruvate lyase mbtI
著者Chi, G, Bulloch, E.M.M, Manos-Turvey, A, Payne, R.J, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
登録日2011-05-06
公開日2012-05-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis
Biochemistry, 51, 2012
3OKR
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BU of 3okr by Molmil
Structure of Mtb apo 2-C-methyl-D-erythritol 4-phosphate cytidyltransferase (IspD)
分子名称: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, Heptamer peptide
著者Sacchettini, J.C, Reddy, M.C.M, Bruning, J.B, Thurman, C, TB Structural Genomics Consortium (TBSGC)
登録日2010-08-25
公開日2010-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of the Mycobacterium tuberculosis 2-C-methyl-D-erythritol 4-phosphate cytidyltransferase (IspD): an antitubercular drug target
To be Published
3ST6
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BU of 3st6 by Molmil
Structure of a M. tuberculosis Synthase, MbtI, in Complex with an Isochorismate Analogue Inhibitor
分子名称: 3-[(1-carboxyethenyl)oxy]-2-hydroxybenzoic acid, Isochorismate synthase/isochorismate-pyruvate lyase mbtI
著者Chi, G, Bulloch, E.M.M, Manos-Turvey, A, Payne, R.J, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
登録日2011-07-08
公開日2012-05-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis
Biochemistry, 51, 2012
2AQ6
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BU of 2aq6 by Molmil
X-ray crystal structure of mycobacterium tuberculosis pyridoxine 5'-phosphate oxidase complexed with pyridoxal 5'-phosphate at 1.7 a resolution
分子名称: PYRIDOXAL-5'-PHOSPHATE, PYRIDOXINE 5'-PHOSPHATE OXIDASE
著者Biswal, B.K, Cherney, M.M, Wang, M, Garen, C, James, M.N, TB Structural Genomics Consortium (TBSGC)
登録日2005-08-17
公開日2005-08-30
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of Mycobacterium tuberculosispyridoxine 5'-phosphate oxidase and its complexes with flavin mononucleotide and pyridoxal 5'-phosphate.
Acta Crystallogr.,Sect.D, 61, 2005
1ZVW
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BU of 1zvw by Molmil
The Crystal Structure of TrpD (Rv2192c) from Mycobacterium tuberculosis in Complex with PRPP and Magnesium
分子名称: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, Anthranilate phosphoribosyltransferase, BENZAMIDINE, ...
著者Lee, C.E, Lott, J.S, Baker, E.N, Arcus, V.L, Javid-Majd, F, Goodfellow, C, Hung, L.-W, TB Structural Genomics Consortium (TBSGC)
登録日2005-06-02
公開日2006-01-17
最終更新日2021-08-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Crystal Structure of TrpD, a Metabolic Enzyme Essential for Lung Colonization by Mycobacterium tuberculosis, in Complex with its Substrate Phosphoribosylpyrophosphate.
J.Mol.Biol., 355, 2006
3UQC
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BU of 3uqc by Molmil
Structure of the Intracellular Kinase Homology Domain of Rv3910 at 2.2 A resolution
分子名称: PROBABLE CONSERVED TRANSMEMBRANE PROTEIN, SUCCINIC ACID
著者Alber, T, Gee, C.L, Blair, S.R, TB Structural Genomics Consortium (TBSGC)
登録日2011-11-20
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.256 Å)
主引用文献A phosphorylated pseudokinase complex controls cell wall synthesis in mycobacteria.
Sci.Signal., 5, 2012
3QB9
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BU of 3qb9 by Molmil
Mycobacterium tuberculosis bacterioferritin, BfrA
分子名称: Bacterioferritin, FE (III) ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者McMath, L.M, Goulding, C.W, TB Structural Genomics Consortium (TBSGC)
登録日2011-01-12
公開日2012-02-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Mycobacterium tuberculosis bacterioferritin, BfrA
To be Published
3VEH
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BU of 3veh by Molmil
Structure of a M. tuberculosis salicylate synthase, MbtI, in complex with an inhibitor methylAMT
分子名称: 3-{[(1Z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Bulloch, E.M, Chi, G, Manos-Turvey, A, Johnston, J.M, Baker, E.N, Payne, R.J, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
登録日2012-01-08
公開日2012-06-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis.
Biochemistry, 51, 2012
1YL7
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BU of 1yl7 by Molmil
the crystal structure of Mycobacterium tuberculosis dihydrodipicolinate reductase (Rv2773c) in complex with NADH (crystal form C)
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Dihydrodipicolinate reductase, MAGNESIUM ION
著者Janowski, R, Kefala, G, Weiss, M.S, TB Structural Genomics Consortium (TBSGC)
登録日2005-01-19
公開日2006-01-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献The structure of dihydrodipicolinate reductase (DapB) from Mycobacterium tuberculosis in three crystal forms.
Acta Crystallogr.,Sect.D, 66, 2010
1Z6K
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BU of 1z6k by Molmil
Citrate lyase beta subunit complexed with oxaloacetate and magnesium from M. tuberculosis
分子名称: Citrate Lyase beta subunit, MAGNESIUM ION, OXALOACETATE ION
著者Goulding, C.W, Bowers, P.M, Segelke, B, Lekin, T, Kim, C.Y, Terwilliger, T.C, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2005-03-22
公開日2005-05-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The structure and computational analysis of Mycobacterium tuberculosis protein CitE suggest a novel enzymatic function.
J.Mol.Biol., 365, 2007
3UOF
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Mycobacterium tuberculosis bacterioferritin, BfrA
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bacterioferritin, FE (III) ION, ...
著者McMath, L.M, Goulding, C.W, TB Structural Genomics Consortium (TBSGC)
登録日2011-11-16
公開日2012-11-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.902 Å)
主引用文献Mycobacterium tuberculosis bacterioferritin, BfrA
To be Published

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