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6APZ
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BU of 6apz by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 3-hydroxy-phenyldiketoacid
分子名称: (2Z)-2-hydroxy-4-(3-hydroxyphenyl)-4-oxobut-2-enoic acid, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2017-08-18
公開日2018-08-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.254 Å)
主引用文献Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
6ASU
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BU of 6asu by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-methyl-phenyldiketoacid
分子名称: (2Z)-2-hydroxy-4-(4-methylphenyl)-4-oxobut-2-enoic acid, MAGNESIUM ION, Malate synthase G, ...
著者Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2017-08-25
公開日2018-08-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.316 Å)
主引用文献Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
6AS6
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BU of 6as6 by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 3-Prop-6-Me-phenyldiketoacid
分子名称: (2Z)-4-(5-cyclopropyl-2-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2017-08-23
公開日2018-08-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
6BA7
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BU of 6ba7 by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-Cl-4-OH-phenyldiketoacid
分子名称: (2Z)-4-(2-chloro-4-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid, MAGNESIUM ION, Malate synthase G
著者Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2017-10-12
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.496 Å)
主引用文献Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
6AXB
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BU of 6axb by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-naphthyldiketoacid
分子名称: (2Z)-2-hydroxy-4-(naphthalen-2-yl)-4-oxobut-2-enoic acid, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2017-09-06
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
6C9N
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BU of 6c9n by Molmil
Mycobacterium tuberculosis adenosine kinase bound to sangivamycin
分子名称: Adenosine kinase, GLYCEROL, SANGIVAMYCIN, ...
著者Crespo, R.A, TB Structural Genomics Consortium (TBSGC)
登録日2018-01-28
公開日2019-05-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
6C6O
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BU of 6c6o by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-Br-4-OH-phenyldiketoacid
分子名称: (2Z)-4-(2-bromo-4-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid, MAGNESIUM ION, Malate synthase G
著者Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2018-01-19
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
5E12
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BU of 5e12 by Molmil
Crystal Structure of PASTA Domains 2, 3 and 4 of Mycobacterium tuberculosis Protein Kinase B
分子名称: CITRATE ANION, Serine/threonine-protein kinase PknB
著者Prigozhin, D.M, TB Structural Genomics Consortium (TBSGC)
登録日2015-09-29
公開日2016-09-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.208 Å)
主引用文献Structural and Genetic Analyses of the Mycobacterium tuberculosis Protein Kinase B Sensor Domain Identify a Potential Ligand-binding Site.
J.Biol.Chem., 291, 2016
5E10
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BU of 5e10 by Molmil
Crystal Structure of PASTA Domains 1 and 2 of Mycobacterium tuberculosis Protein Kinase B
分子名称: Serine/threonine-protein kinase PknB
著者Prigozhin, D.M, TB Structural Genomics Consortium (TBSGC)
登録日2015-09-29
公開日2016-09-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Structural and Genetic Analyses of the Mycobacterium tuberculosis Protein Kinase B Sensor Domain Identify a Potential Ligand-binding Site.
J.Biol.Chem., 291, 2016
5E0Z
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BU of 5e0z by Molmil
Crystal Structure of PASTA Domains 3 and 4 of Mycobacterium tuberculosis Protein Kinase B
分子名称: Serine/threonine-protein kinase PknB
著者Prigozhin, D.M, TB Structural Genomics Consortium (TBSGC)
登録日2015-09-29
公開日2016-09-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Genetic Analyses of the Mycobacterium tuberculosis Protein Kinase B Sensor Domain Identify a Potential Ligand-binding Site.
J.Biol.Chem., 291, 2016
5E0Y
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BU of 5e0y by Molmil
Crystal Structure of PASTA Domain 4 of Mycobacterium tuberculosis Protein Kinase B
分子名称: Serine/threonine-protein kinase PknB, ZINC ION
著者Prigozhin, D.M, TB Structural Genomics Consortium (TBSGC)
登録日2015-09-29
公開日2016-09-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Structural and Genetic Analyses of the Mycobacterium tuberculosis Protein Kinase B Sensor Domain Identify a Potential Ligand-binding Site.
J.Biol.Chem., 291, 2016
5CW8
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BU of 5cw8 by Molmil
Crystal structure of Mycobacterium tuberculosis KstR in complex with 3-oxo-4-cholesten-26-oyl-CoA
分子名称: HTH-type transcriptional repressor KstR, S-{1-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,7-dihydroxy-6,6-dimethyl-3-oxido-8,12 -dioxo-2,4-dioxa-9,13-diaza-3lambda~5~-phosphapentadecan-15-yl} (2S,6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta [a]phenanthren-17-yl]-2-methylheptanethioate (non-preferred name), TRIETHYLENE GLYCOL
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2015-07-27
公開日2016-02-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 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
5CXG
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BU of 5cxg by Molmil
Crystal structure of Mycobacterium tuberculosis KstR in complex with PEG
分子名称: DI(HYDROXYETHYL)ETHER, HTH-type transcriptional repressor KstR, TRIETHYLENE GLYCOL
著者Ho, N.A.T, Dawes, S, Kendall, S, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
登録日2015-07-28
公開日2016-02-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1001 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
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
1BVR
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BU of 1bvr by Molmil
M.TB. ENOYL-ACP REDUCTASE (INHA) IN COMPLEX WITH NAD+ AND C16-FATTY-ACYL-SUBSTRATE
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROTEIN (ENOYL-ACYL CARRIER PROTEIN (ACP) REDUCTASE), TRANS-2-HEXADECENOYL-(N-ACETYL-CYSTEAMINE)-THIOESTER
著者Rozwarski, D.A, Vilcheze, C, Sugantino, M, Bittman, R, Jacobs, W, TB Structural Genomics Consortium (TBSGC)
登録日1998-09-17
公開日1999-09-17
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the Mycobacterium tuberculosis enoyl-ACP reductase, InhA, in complex with NAD+ and a C16 fatty acyl substrate.
J.Biol.Chem., 274, 1999
1G19
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BU of 1g19 by Molmil
STRUCTURE OF RECA PROTEIN
分子名称: PHOSPHATE ION, RECA PROTEIN
著者Datta, S, Prabu, M.M, Vaze, M.B, Ganesh, N, Chandra, N.R, Muniyappa, K, Vijayan, M, TB Structural Genomics Consortium (TBSGC)
登録日2000-10-11
公開日2000-12-11
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structures of Mycobacterium tuberculosis RecA and its complex with ADP-AlF(4): implications for decreased ATPase activity and molecular aggregation
Nucleic Acids Res., 28, 2000
1G18
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BU of 1g18 by Molmil
RECA-ADP-ALF4 COMPLEX
分子名称: ADENOSINE-5'-DIPHOSPHATE, RECA PROTEIN, TETRAFLUOROALUMINATE ION
著者Datta, S, Prabu, M.M, Vaze, M.B, Ganesh, N, Chandra, N.R, Muniyappa, K, Vijayan, M, TB Structural Genomics Consortium (TBSGC)
登録日2000-10-11
公開日2000-12-11
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Crystal structures of Mycobacterium tuberculosis RecA and its complex with ADP-AlF(4): implications for decreased ATPase activity and molecular aggregation
Nucleic Acids Res., 28, 2000
5UA2
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BU of 5ua2 by Molmil
Mycobacterium tuberculosis KstR in complex with a 26-bp DNA operator
分子名称: DNA (5'-D(P*AP*CP*TP*AP*TP*TP*AP*GP*AP*AP*CP*AP*CP*GP*TP*TP*CP*TP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(P*CP*CP*CP*AP*CP*TP*AP*GP*AP*AP*CP*GP*TP*GP*TP*TP*CP*TP*AP*AP*TP*AP*GP*T)-3'), HTH-type transcriptional repressor KstR, ...
著者Ho, N.A.T, Dawes, S.S, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
登録日2016-12-18
公開日2017-12-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.9002 Å)
主引用文献Crystal structure of KstR in complex with cognate DNA operator
To Be Published
1DQY
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BU of 1dqy by Molmil
CRYSTAL STRUCTURE OF ANTIGEN 85C FROM MYCOBACTERIUM TUBERCULOSIS WITH DIETHYL PHOSPHATE INHIBITOR
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, DIETHYL PHOSPHONATE, PROTEIN (ANTIGEN 85-C)
著者Ronning, D.R, Klabunde, T, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2000-01-05
公開日2000-07-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystal structure of the secreted form of antigen 85C reveals potential targets for mycobacterial drugs and vaccines.
Nat.Struct.Biol., 7, 2000
1ENZ
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BU of 1enz by Molmil
CRYSTAL STRUCTURE AND FUNCTION OF THE ISONIAZID TARGET OF MYCOBACTERIUM TUBERCULOSIS
分子名称: ENOYL-ACYL CARRIER PROTEIN (ACP) REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Dessen, A, Quemard, A, Blanchard, J.S, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日1995-01-27
公開日1996-01-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure and function of the isoniazid target of Mycobacterium tuberculosis.
Science, 267, 1995
1EYV
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BU of 1eyv by Molmil
THE CRYSTAL STRUCTURE OF NUSB FROM MYCOBACTERIUM TUBERCULOSIS
分子名称: N-UTILIZING SUBSTANCE PROTEIN B HOMOLOG, PHOSPHATE ION
著者Gopal, B, Haire, L.F, Cox, R.A, Colston, M.J, Major, S, Brannigan, J.A, Smerdon, S.J, Dodson, G.G, TB Structural Genomics Consortium (TBSGC)
登録日2000-05-09
公開日2000-05-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The crystal structure of NusB from Mycobacterium tuberculosis.
Nat.Struct.Biol., 7, 2000
1F0P
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BU of 1f0p by Molmil
MYCOBACTERIUM TUBERCULOSIS ANTIGEN 85B WITH TREHALOSE
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ANTIGEN 85-B, ...
著者Anderson, D.H, Harth, G, Horwitz, M.A, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2000-05-16
公開日2001-01-24
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献An interfacial mechanism and a class of inhibitors inferred from two crystal structures of the Mycobacterium tuberculosis 30 kDa major secretory protein (Antigen 85B), a mycolyl transferase.
J.Mol.Biol., 307, 2001
1F0N
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MYCOBACTERIUM TUBERCULOSIS ANTIGEN 85B
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ANTIGEN 85B
著者Anderson, D.H, Harth, G, Horwitz, M.A, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2000-05-16
公開日2001-01-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An interfacial mechanism and a class of inhibitors inferred from two crystal structures of the Mycobacterium tuberculosis 30 kDa major secretory protein (Antigen 85B), a mycolyl transferase.
J.Mol.Biol., 307, 2001
1ENY
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BU of 1eny by Molmil
CRYSTAL STRUCTURE AND FUNCTION OF THE ISONIAZID TARGET OF MYCOBACTERIUM TUBERCULOSIS
分子名称: ENOYL-ACYL CARRIER PROTEIN (ACP) REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Dessen, A, Quemard, A, Blanchard, J.S, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日1995-01-27
公開日1996-01-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure and function of the isoniazid target of Mycobacterium tuberculosis.
Science, 267, 1995
1DQZ
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CRYSTAL STRUCTURE OF ANTIGEN 85C FROM MYCOBACTERIUM TUBERCULOSIS
分子名称: PROTEIN (ANTIGEN 85-C)
著者Ronning, D.R, Klabunde, T, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2000-01-05
公開日2000-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of the secreted form of antigen 85C reveals potential targets for mycobacterial drugs and vaccines.
Nat.Struct.Biol., 7, 2000

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