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4XT8
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BU of 4xt8 by Molmil
Crystal structure of Rv2671 from Mycobacterium tuberculosis in complex with NADP+ and trimetrexate
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Sacchettini, J.C, Cheng, Y.S, TB Structural Genomics Consortium (TBSGC)
登録日2015-01-23
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Insights into Mycobacterium tuberculosis Rv2671 Protein as a Dihydrofolate Reductase Functional Analogue Contributing to para-Aminosalicylic Acid Resistance.
Biochemistry, 55, 2016
6BU1
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BU of 6bu1 by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-Br-3-OH-phenyldiketoacid
分子名称: (2Z)-4-(2-bromo-3-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2017-12-08
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.584 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
4ZJM
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BU of 4zjm by Molmil
Crystal Structure of Mycobacterium tuberculosis LpqH (Rv3763)
分子名称: CHLORIDE ION, GLYCEROL, Lipoprotein LpqH, ...
著者Arbing, M.A, Chan, S, Kuo, E, Harris, L.R, Zhou, T.T, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2015-04-29
公開日2015-05-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.851 Å)
主引用文献Crystal Structure of Mycobacterium tuberculosis LpqH (Rv3763)
To Be Published
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
3N59
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BU of 3n59 by Molmil
Type II dehydroquinase from Mycobacterium Tuberculosis complexed with 3-dehydroshikimate
分子名称: (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid, 3-dehydroquinate dehydratase, CHLORIDE ION
著者Snee, W.C, Palaninathan, S.K, Sacchettini, J.C, Dias, M.V.B, Bromfield, K.M, Payne, R, Ciulli, A, Howard, N.I, Abell, C, Blundell, T.L, TB Structural Genomics Consortium (TBSGC)
登録日2010-05-24
公開日2010-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis.
Biochem.J., 436, 2011
3DHY
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BU of 3dhy by Molmil
Crystal Structures of Mycobacterium tuberculosis S-Adenosyl-L-Homocysteine Hydrolase in Ternary Complex with Substrate and Inhibitors
分子名称: 5'-S-ethyl-5'-thioadenosine, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Shetty, N.D, Ioerger, T.R, Gokulan, K, Reddy, M.C.M, Owen, J.L, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2008-06-19
公開日2008-09-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with substrate and inhibitors.
Protein Sci., 17, 2008
1C3V
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BU of 1c3v by Molmil
DIHYDRODIPICOLINATE REDUCTASE FROM MYCOBACTERIUM TUBERCULOSIS COMPLEXED WITH NADPH AND PDC
分子名称: DIHYDRODIPICOLINATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PYRIDINE-2,6-DICARBOXYLIC ACID, ...
著者Cirilli, M, Zheng, R, Scapin, G, Blanchard, J.S, TB Structural Genomics Consortium (TBSGC)
登録日1999-07-28
公開日2003-08-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献The three-dimensional structures of the Mycobacterium tuberculosis dihydrodipicolinate reductase-NADH-2,6-PDC and -NADPH-2,6-PDC complexes. Structural and mutagenic analysis of relaxed nucleotide specificity
Biochemistry, 42, 2003
6AU9
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BU of 6au9 by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with dioxine-phenyldiketoacid
分子名称: (2Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-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2017-08-31
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 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
3MML
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BU of 3mml by Molmil
Allophanate Hydrolase Complex from Mycobacterium smegmatis, Msmeg0435-Msmeg0436
分子名称: Allophanate hydrolase subunit 1, Allophanate hydrolase subunit 2, CHLORIDE ION
著者Kaufmann, M, Chernishof, I, Shin, A, Germano, D, Sawaya, M.R, Waldo, G.S, Arbing, M.A, Perry, J, Eisenberg, D, Integrated Center for Structure and Function Innovation (ISFI), TB Structural Genomics Consortium (TBSGC)
登録日2010-04-20
公開日2010-04-28
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of Allphanate Hydrolase Complex from M. smegmatis, Msmeg0435-Msmeg0436
To be Published
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
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
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
6C9S
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BU of 6c9s by Molmil
Mycobacterium tuberculosis adenosine kinase bound to (2R,3R,4S,5R)-2-(6-([1,1'-biphenyl]-4-ylethynyl)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
分子名称: 6-[([1,1'-biphenyl]-4-yl)ethynyl]-9-beta-D-ribofuranosyl-9H-purine, Adenosine kinase, SODIUM ION, ...
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 (2.23 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
6C9R
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BU of 6c9r by Molmil
Mycobacterium tuberculosis adenosine kinase bound to (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(thiophen-3-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol
分子名称: 9-beta-D-ribofuranosyl-6-(thiophen-3-yl)-9H-purine, Adenosine kinase, GLYCEROL, ...
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
6C9Q
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BU of 6c9q by Molmil
Mycobacterium tuberculosis adenosine kinase bound to 5'-aminoadenosine
分子名称: 5'-amino-5'-deoxyadenosine, Adenosine kinase
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 (1.95 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
3FHZ
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BU of 3fhz by Molmil
Crystal structure of the arginine repressor from Mycobacterium tuberculosis bound with its DNA operator and co-repressor, L-arginine
分子名称: 5'-D(*TP*GP*TP*TP*GP*CP*AP*TP*AP*AP*CP*GP*AP*TP*GP*CP*AP*AP*AP*A)-3', 5'-D(*TP*TP*TP*TP*GP*CP*AP*TP*CP*GP*TP*TP*AP*TP*GP*CP*AP*AP*CP*A)-3', ACETATE ION, ...
著者Cherney, L.T, Cherney, M.M, Garen, C.R, James, M.N.G, TB Structural Genomics Consortium (TBSGC)
登録日2008-12-10
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.27 Å)
主引用文献The structure of the arginine repressor from Mycobacterium tuberculosis bound with its DNA operator and Co-repressor, L-arginine.
J.Mol.Biol., 388, 2009
6C7B
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BU of 6c7b by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with Methoxynaphthyldiketoacid
分子名称: (2Z)-2-hydroxy-4-(6-methoxynaphthalen-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2018-01-22
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.133 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
6C8P
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BU of 6c8p by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-F-phenyldiketoacid
分子名称: (2Z)-4-(2-fluorophenyl)-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2018-01-25
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.635 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
6C2X
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BU of 6c2x by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-Br-6-Me-phenyldiketoacid
分子名称: (2S)-4-(2-bromo-6-methylphenyl)-2-hydroxy-4-oxobutanoic acid, MAGNESIUM ION, Malate synthase G
著者Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2018-01-09
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 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
6C9P
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BU of 6c9p by Molmil
Mycobacterium tuberculosis adenosine kinase bound to 6-methylmercaptopurine riboside
分子名称: 2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-DIOL, Adenosine kinase, GLYCEROL, ...
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 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
6C67
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BU of 6c67 by Molmil
Mycobacterium tuberculosis adenosine kinase bound to iodotubercidin
分子名称: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Adenosine kinase, GLYCEROL, ...
著者Crespo, R.A, TB Structural Genomics Consortium (TBSGC)
登録日2018-01-17
公開日2019-05-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.11 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

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