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5V41
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Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor TAM5
分子名称: Polyketide synthase Pks13 (Termination polyketide synthase), ethyl 5-hydroxy-4-(morpholin-4-ylmethyl)-2-phenyl-1-benzofuran-3-carboxylate
著者Aggarwal, A, Sacchettini, J.C.
登録日2017-03-08
公開日2017-07-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.051 Å)
主引用文献Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13.
Cell, 170, 2017
5V42
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Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor TAM3
分子名称: Polyketide synthase Pks13 (Termination polyketide synthase), ethyl 5-hydroxy-2-phenyl-4-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carboxylate
著者Aggarwal, A, Sacchettini, J.C.
登録日2017-03-08
公開日2017-07-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.987 Å)
主引用文献Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13.
Cell, 170, 2017
5V3Y
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Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor TAM16
分子名称: 2-(4-hydroxyphenyl)-~{N}-methyl-5-oxidanyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide, Polyketide synthase Pks13 (Termination polyketide synthase), SULFATE ION
著者Aggarwal, A, Sacchettini, J.C.
登録日2017-03-08
公開日2017-07-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13.
Cell, 170, 2017
5V3W
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Crystal Structure of the Apo form of Thioesterase domain of Mtb Pks13
分子名称: (2R)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol, Polyketide synthase Pks13 (Termination polyketide synthase)
著者Aggarwal, A, Sacchettini, J.C.
登録日2017-03-08
公開日2017-07-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.723 Å)
主引用文献Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13.
Cell, 170, 2017
5V3X
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Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor TAM1
分子名称: Polyketide synthase Pks13 (Termination polyketide synthase), ethyl 5-hydroxy-4-[(4-methylpiperidin-1-yl)methyl]-2-phenyl-1-benzofuran-3-carboxylate
著者Aggarwal, A, Sacchettini, J.C.
登録日2017-03-08
公開日2017-07-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.936 Å)
主引用文献Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13.
Cell, 170, 2017
5V40
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Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor TAM6
分子名称: Polyketide synthase Pks13 (Termination polyketide synthase), ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate
著者Aggarwal, A, Sacchettini, J.C.
登録日2017-03-08
公開日2017-07-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.991 Å)
主引用文献Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13.
Cell, 170, 2017
3SAD
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Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(2-mehtylphenyl)-2,4-dioxobutanoic acid inhibitor
分子名称: 4-(2-methylphenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G
著者Krieger, I.V, Sun, Q, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
登録日2011-06-02
公開日2012-11-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase.
Chem.Biol., 19, 2012
3SAZ
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Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(3-bromophenyl)-2,4-dioxobutanoic acid inhibitor
分子名称: 4-(3-bromophenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G
著者Krieger, I.V, Sun, Q, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
登録日2011-06-03
公開日2012-11-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase.
Chem.Biol., 19, 2012
3SB0
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Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(2-chloro-6-fluoro-3-methylphenyl)-2,4-dioxobutanoic acid inhibitor
分子名称: 4-(2-chloro-6-fluoro-3-methylphenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G
著者Krieger, I.V, Sun, Q, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
登録日2011-06-03
公開日2012-11-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase.
Chem.Biol., 19, 2012
3S9I
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Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-4-dioxo-4-phenylbutanoic acid inhibitor
分子名称: 2-4-DIOXO-4-PHENYLBUTANOIC ACID, MAGNESIUM ION, Malate synthase G
著者Krieger, I.V, Sun, Q, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
登録日2011-06-01
公開日2012-11-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase.
Chem.Biol., 19, 2012
3S9Z
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Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(2-bromophenyl)-2,4-dioxobutanoic acid inhibitor
分子名称: 4-(2-bromophenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G
著者Krieger, I.V, Sun, Q, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
登録日2011-06-02
公開日2012-11-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.793 Å)
主引用文献Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase.
Chem.Biol., 19, 2012
3T78
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Crystal Structure of Mycobacterium tuberculosis Indole Glycerol Phosphate Synthase (IGPS) in Complex with 5-Fluoroanthranilate
分子名称: 2-amino-5-fluorobenzoic acid, ACETATE ION, Indole-3-glycerol phosphate synthase, ...
著者Reddy, M.C.M, Bruning, J.B, Thurman, C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2011-07-29
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 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
3T44
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Crystal structure of Mycobacterium tuberculosis Indole Glycerol Phosphate Synthase (IGPS) in complex with indole glycerol phosphate (IGP) amd anthranilate
分子名称: 2-AMINOBENZOIC ACID, INDOLE-3-GLYCEROL PHOSPHATE, Indole-3-glycerol phosphate synthase
著者Reddy, M.C.M, Bruning, J.B, Thurman, C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2011-07-25
公開日2012-08-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 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
3T55
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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
3T40
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Crystal Structure of Mycobacterium tuberculosis Indole Glycerol Phosphate Synthase (IGPS) complex with N-2-Carboxyphenyl Glycine (CPG)
分子名称: 2-[(carboxymethyl)amino]benzoic acid, 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2011-07-25
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.752 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
3U39
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Crystal Structure of the apo Bacillus Stearothermophilus phosphofructokinase
分子名称: 6-phosphofructokinase, CALCIUM ION
著者Mosser, R, Reddy, M.C.M, Bruning, J.B, Sacchettini, J.C, Reinhart, G.D.
登録日2011-10-05
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.7921 Å)
主引用文献Structure of the apo form of Bacillus stearothermophilus phosphofructokinase.
Biochemistry, 51, 2012
1KPH
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BU of 1kph by Molmil
Crystal Structure of mycolic acid cyclopropane synthase CmaA1 complexed with SAH and DDDMAB
分子名称: CARBONATE ION, CYCLOPROPANE-FATTY-ACYL-PHOSPHOLIPID SYNTHASE 1, DIDECYL-DIMETHYL-AMMONIUM, ...
著者Huang, C.-C, Smith, C.V, Jacobs Jr, W.R, Glickman, M.S, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2001-12-30
公開日2002-01-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of mycolic acid cyclopropane synthases from Mycobacterium tuberculosis
J.Biol.Chem., 277, 2002
1KPG
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Crystal Structure of mycolic acid cyclopropane synthase CmaA1 complexed with SAH and CTAB
分子名称: CARBONATE ION, CETYL-TRIMETHYL-AMMONIUM, CYCLOPROPANE-FATTY-ACYL-PHOSPHOLIPID SYNTHASE 1, ...
著者Huang, C.-C, Smith, C.V, Jacobs Jr, W.R, Glickman, M.S, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2001-12-30
公開日2002-01-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of mycolic acid cyclopropane synthases from Mycobacterium tuberculosis
J.Biol.Chem., 277, 2002
1KPI
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BU of 1kpi by Molmil
Crystal Structure of mycolic acid cyclopropane synthase CmaA2 complexed with SAH and DDDMAB
分子名称: CARBONATE ION, CYCLOPROPANE-FATTY-ACYL-PHOSPHOLIPID SYNTHASE 2, DIDECYL-DIMETHYL-AMMONIUM, ...
著者Huang, C.-C, Smith, C.V, Jacobs Jr, W.R, Glickman, M.S, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2001-12-30
公開日2002-01-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structures of mycolic acid cyclopropane synthases from Mycobacterium tuberculosis
J.Biol.Chem., 277, 2002
1KP9
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Crystal structure of mycolic acid cyclopropane synthase CmaA1, apo-form
分子名称: ACETIC ACID, CYCLOPROPANE-FATTY-ACYL-PHOSPHOLIPID SYNTHASE 1
著者Huang, C.-C, Smith, C.V, Jacobs Jr, W.R, Glickman, M.S, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2001-12-30
公開日2002-01-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Crystal structures of mycolic acid cyclopropane synthases from Mycobacterium tuberculosis
J.Biol.Chem., 277, 2002
1KKH
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BU of 1kkh by Molmil
Crystal Structure of the Methanococcus jannaschii Mevalonate Kinase
分子名称: 1,4-DIETHYLENE DIOXIDE, Mevalonate Kinase
著者Yang, D, Shipman, L.W, Roessner, C.A, Scott, A.I, Sacchettini, J.C.
登録日2001-12-08
公開日2002-03-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the Methanococcus jannaschii mevalonate kinase, a member of the GHMP kinase superfamily.
J.Biol.Chem., 277, 2002
1L1E
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Crystal Structure of Mycolic Acid Cyclopropane Synthase PcaA Complexed with S-adenosyl-L-homocysteine
分子名称: CARBONATE ION, S-ADENOSYL-L-HOMOCYSTEINE, mycolic acid synthase
著者Huang, C.-C, Smith, C.V, Glickman, M.S, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2002-02-15
公開日2002-03-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of mycolic acid cyclopropane synthases from Mycobacterium tuberculosis.
J.Biol.Chem., 277, 2002
1L8W
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Crystal Structure of Lyme Disease Variable Surface Antigen VlsE of Borrelia burgdorferi
分子名称: VlsE1
著者Eicken, C, Sharma, V, Klabunde, T, Lawrenz, M.B, Hardham, J.M, Norris, S.J, Sacchettini, J.C.
登録日2002-03-21
公開日2002-06-19
最終更新日2018-03-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of Lyme disease variable surface antigen VlsE of Borrelia burgdorferi.
J.Biol.Chem., 277, 2002
1MTO
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BU of 1mto by Molmil
Crystal structure of a Phosphofructokinase mutant from Bacillus stearothermophilus bound with fructose-6-phosphate
分子名称: 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructokinase
著者Riley-Lovingshimer, M.R, Ronning, D.R, Sacchettini, J.C, Reinhart, G.D.
登録日2002-09-21
公開日2002-12-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Reversible Ligand-Induced Dissociation of a Tryptophan-Shift Mutant of Phosphofructokinase from Bacillus stearothermophilus
Biochemistry, 41, 2002
1NL3
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CRYSTAL STRUCTURE OF THE SECA PROTEIN TRANSLOCATION ATPASE FROM MYCOBACTERIUM TUBERCULOSIS in APO FORM
分子名称: PREPROTEIN TRANSLOCASE SECA 1 SUBUNIT
著者Sharma, V, Arockiasamy, A, Ronning, D.R, Savva, C.G, Holzenburg, A, Braunstein, M, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2003-01-06
公開日2003-03-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of M. tuberculosis SecA, A Preprotein Translocating ATPase
Proc.Natl.Acad.Sci.USA, 100, 2003

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