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4KBM
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BU of 4kbm by Molmil
Structure of the Mtb CarD/RNAP Beta subunit B1-B2 domains complex
分子名称: DNA-directed RNA polymerase subunit beta, RNA polymerase-binding transcription factor CarD
著者Gulten, G, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2013-04-23
公開日2013-10-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1146 Å)
主引用文献Structure of the Mtb CarD/RNAP beta-Lobes Complex Reveals the Molecular Basis of Interaction and Presents a Distinct DNA-Binding Domain for Mtb CarD.
Structure, 21, 2013
3FMF
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BU of 3fmf by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase complexed with 7,8 diaminopelargonic acid carbamate
分子名称: 7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACID, Dethiobiotin synthetase
著者Dey, S, Sacchettini, J.C.
登録日2008-12-21
公開日2009-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural characterization of the Mycobacterium tuberculosis biotin biosynthesis enzymes 7,8-diaminopelargonic acid synthase and dethiobiotin synthetase .
Biochemistry, 49, 2010
3FPA
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BU of 3fpa by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase complexed with dethiobiotin and phosphate
分子名称: 6-(5-METHYL-2-OXO-IMIDAZOLIDIN-4-YL)-HEXANOIC ACID, Dethiobiotin synthetase, MAGNESIUM ION, ...
著者Dey, S, Sacchettini, J.C.
登録日2009-01-04
公開日2009-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural characterization of the Mycobacterium tuberculosis biotin biosynthesis enzymes 7,8-diaminopelargonic acid synthase and dethiobiotin synthetase.
Biochemistry, 49, 2010
4KBJ
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BU of 4kbj by Molmil
Structure of Mtb RNAP Beta subunit B1 and B2 domains
分子名称: DNA-directed RNA polymerase subunit beta
著者Gulten, G, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2013-04-23
公開日2013-10-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4532 Å)
主引用文献Structure of the Mtb CarD/RNAP beta-Lobes Complex Reveals the Molecular Basis of Interaction and Presents a Distinct DNA-Binding Domain for Mtb CarD.
Structure, 21, 2013
3GS4
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BU of 3gs4 by Molmil
Human transthyretin (TTR) complexed with 3-(9H-fluoren-9-ylideneaminooxy)propanoic acid (inhibitor 15)
分子名称: 3-[(9H-fluoren-9-ylideneamino)oxy]propanoic acid, Transthyretin
著者Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C.
登録日2009-03-26
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis.
Plos One, 4, 2009
3GS0
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Human transthyretin (TTR) complexed with (S)-3-(9H-fluoren-9-ylideneaminooxy)-2-methylpropanoic acid (inhibitor 16)
分子名称: (2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid, Transthyretin
著者Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C.
登録日2009-03-26
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis.
Plos One, 4, 2009
3GLZ
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BU of 3glz by Molmil
Human Transthyretin (TTR) complexed with(E)-3-(2-(trifluoromethyl)benzylideneaminooxy)propanoic acid (inhibitor 11)
分子名称: 3-[({(1E)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid, Transthyretin
著者Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C.
登録日2009-03-12
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis
Plos One, 4, 2009
4M2X
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BU of 4m2x by Molmil
Mycobacterium tuberculosis dihydrofolate reductase complexed with trimetrexate (TMQ)
分子名称: ACETATE ION, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Jung, H, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2013-08-05
公開日2014-11-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Selective inhibitors for dihydrofolate reductase from mycobacterium tuberculosis
To be Published
3GS7
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BU of 3gs7 by Molmil
Human transthyretin (TTR) complexed with (E)-3-(2-methoxybenzylideneaminooxy)propanoic acid (inhibitor 13)
分子名称: 3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid, Transthyretin
著者Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C.
登録日2009-03-26
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis.
Plos One, 4, 2009
3HDF
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BU of 3hdf by Molmil
Crystal structure of truncated endolysin R21 from phage 21
分子名称: GLYCEROL, Lysozyme, NITRATE ION
著者Sun, Q, Sacchettini, J.C.
登録日2009-05-07
公開日2009-11-03
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Regulation of a muralytic enzyme by dynamic membrane topology.
Nat.Struct.Mol.Biol., 16, 2009
3HEM
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BU of 3hem by Molmil
Structure of Mycobacterium tuberculosis Mycolic Acid Cyclopropane Synthase CmaA2 in Complex with Dioctylamine
分子名称: CARBONATE ION, Cyclopropane-fatty-acyl-phospholipid synthase 2, N-octyloctan-1-amine
著者Liu, Z, Sacchettini, J.C.
登録日2009-05-09
公開日2009-06-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structure of Mycobacterium tuberculosis Mycolic Acid Cyclopropane Synthase CmaA2 in Complex with Dioctylamine
TO BE PUBLISHED
3HDE
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BU of 3hde by Molmil
Crystal structure of full-length endolysin R21 from phage 21
分子名称: Lysozyme
著者Sun, Q, Arockiasamy, A, McKee, E, Caronna, E, Sacchettini, J.C.
登録日2009-05-07
公開日2009-11-03
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Regulation of a muralytic enzyme by dynamic membrane topology.
Nat.Struct.Mol.Biol., 16, 2009
3I59
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BU of 3i59 by Molmil
Crystal structure of MtbCRP in complex with N6-cAMP
分子名称: (2R)-N6-(1-Methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate, (2S)-N6-(1-Methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate, CHLORIDE ION, ...
著者Reddy, M.C, Palaninathan, S.K, Bruning, J.B, Thurman, C, Smith, D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2009-07-03
公開日2009-09-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structural Insights into the Mechanism of the Allosteric Transitions of Mycobacterium tuberculosis cAMP Receptor Protein.
J.Biol.Chem., 284, 2009
3OEY
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BU of 3oey by Molmil
Crystal structure of InhA_T266E:NADH complex
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Molle, V, Gulten, G, Vilcheze, C, Veyron-Churlet, R, Zanella-Cleon, I, Sacchettini, J.C, Jacobs Jr, W.R, Kremer, L.
登録日2010-08-13
公開日2010-12-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Phosphorylation of InhA inhibits mycolic acid biosynthesis and growth of Mycobacterium tuberculosis.
Mol.Microbiol., 78, 2010
3OEW
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BU of 3oew by Molmil
Crystal structure of wild-type InhA:NADH complex
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Molle, V, Gulten, G, Vilcheze, C, Veyron-Churlet, R, Zanella-Cleon, I, Sacchettini, J.C, Jacobs Jr, W.R, Kremer, L.
登録日2010-08-13
公開日2010-12-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Phosphorylation of InhA inhibits mycolic acid biosynthesis and growth of Mycobacterium tuberculosis.
Mol.Microbiol., 78, 2010
3OF2
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BU of 3of2 by Molmil
Crystal structure of InhA_T266D:NADH complex
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Molle, V, Gulten, G, Vilcheze, C, Veyron-Churlet, R, Zanella-Cleon, I, Sacchettini, J.C, Jacobs Jr, W.R, Kremer, L.
登録日2010-08-13
公開日2010-12-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Phosphorylation of InhA inhibits mycolic acid biosynthesis and growth of Mycobacterium tuberculosis.
Mol.Microbiol., 78, 2010
3ONR
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BU of 3onr by Molmil
Crystal structure of the calcium chelating immunodominant antigen, calcium dodecin (Rv0379),from Mycobacterium tuberculosis with a novel calcium-binding site
分子名称: CALCIUM ION, FORMIC ACID, PLATINUM (II) ION, ...
著者Arulandu, A, Sacchettini, J.C.
登録日2010-08-30
公開日2011-03-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of calcium dodecin (Rv0379), from Mycobacterium tuberculosis with a unique calcium-binding site.
Protein Sci., 20, 2011
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
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
3Q0G
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BU of 3q0g by Molmil
Crystal Structure of the Mycobacterium tuberculosis Crotonase Bound to a Reaction Intermediate Derived from Crotonyl CoA
分子名称: Butyryl Coenzyme A, COENZYME A, GLYCEROL, ...
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 (2.38 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
3Q7U
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BU of 3q7u by Molmil
Structure of Mtb 2-C-methyl-D-erythritol 4-phosphate cytidyltransferase (IspD) complexed with CTP
分子名称: 2-C-methyl-D-erythritol 4-phosphate cytidyltransferase, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION
著者Reddy, M.C.M, Bruning, J.B, Thurman, C, Ioerger, T.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2011-01-05
公開日2011-05-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Mycobacterium tuberculosis 2-C-methyl-D-erythritol 4-phosphate cytidyltransferase (IspD): a candidate antitubercular drug target
Proteins, 2011
3Q80
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Structure of Mtb 2-C-methyl-D-erythritol 4-phosphate cytidyltransferase (IspD) Complexed with CDP-ME
分子名称: 2-C-methyl-D-erythritol 4-phosphate cytidyltransferase, 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL, CHLORIDE ION, ...
著者Reddy, M.C.M, Bruning, J.B, Thurman, C, Ioerger, T.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2011-01-05
公開日2011-05-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Mycobacterium tuberculosis 2-C-methyl-D-erythritol 4-phosphate cytidyltransferase (IspD): a candidate antitubercular drug target
Proteins, 2011
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
5V3Z
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BU of 5v3z by Molmil
Crystal Structure of the D1607N mutant form of Thioesterase domain of Mtb Pks13
分子名称: PENTAETHYLENE GLYCOL, 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 (1.881 Å)
主引用文献Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13.
Cell, 170, 2017

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