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2IFB
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BU of 2ifb by Molmil
CRYSTAL STRUCTURE OF RAT INTESTINAL FATTY-ACID-BINDING PROTEIN. REFINEMENT AND ANALYSIS OF THE ESCHERICHIA COLI-DRIVED PROTEIN WITH BOUND PALMITATE
分子名称: INTESTINAL FATTY ACID BINDING PROTEIN, PALMITIC ACID
著者Sacchettini, J.C, Gordon, J.I, Banaszak, L.J.
登録日1990-12-05
公開日1992-01-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of rat intestinal fatty-acid-binding protein. Refinement and analysis of the Escherichia coli-derived protein with bound palmitate.
J.Mol.Biol., 208, 1989
1IFB
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REFINED APOPROTEIN STRUCTURE OF RAT INTESTINAL FATTY ACID BINDING PROTEIN PRODUCED IN ESCHERICHIA COLI
分子名称: INTESTINAL FATTY ACID BINDING PROTEIN
著者Sacchettini, J.C, Gordon, J.I, Banaszak, L.J.
登録日1990-12-05
公開日1992-01-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Refined apoprotein structure of rat intestinal fatty acid binding protein produced in Escherichia coli.
Proc.Natl.Acad.Sci.USA, 86, 1989
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
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
4XT7
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Crystal structure of Rv2671 from Mycobacterium tuberculosis in complex with NADP+ and trimethoprim
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
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 (2.3 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
4XT6
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Crystal structure of Rv2671 from Mycobacterium tuberculosis in complex with the tetrahydropteridine ring of tetrahydrofolate (THF)
分子名称: (6S)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3H)-one, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Rv2671
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 (1.85 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
4XT5
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Crystal structure of Rv2671 from Mycobacterium tuberculosis in complex with NADP+
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Rv2671
著者Sacchettini, J.C, Cheng, Y.S, TB Structural Genomics Consortium (TBSGC)
登録日2015-01-22
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.13 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
4XT4
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BU of 4xt4 by Molmil
Crystal structure of Rv2671 from Mycobacteirum tuberculosis in complex with dihydropteridine ring of dihydropteroic acid
分子名称: 2-amino-6-methyl-7,8-dihydropteridin-4(3H)-one, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Sacchettini, J.C, Cheng, Y.S, TB Structural Genomics Consortium (TBSGC)
登録日2015-01-22
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.891 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
5KVU
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BU of 5kvu by Molmil
Crystal structure of isocitrate dehydrogenase-2 in complex with NADP(+) from Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, D-MALATE, GLYCEROL, ...
著者Cheng, Y.S, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2016-07-15
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Structural and kinetic characterization of isocitrate dehydrogenase-2 from Mycobacterium tuberculosis
To Be Published
2HH7
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Crystal Structure of Cu(I) bound CsoR from Mycobacterium tuberculosis.
分子名称: COPPER (I) ION, Hypothetical protein CsoR
著者Sacchettini, J.C, Ramesh, A.
登録日2006-06-27
公開日2006-12-05
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献CsoR is a novel Mycobacterium tuberculosis copper-sensing transcriptional regulator.
Nat.Chem.Biol., 3, 2007
3F4B
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BU of 3f4b by Molmil
Crystal structure of Plasmodium berghei Enoyl-acyl-carrier-protein reductase with TRICLOSAN
分子名称: Enoyl-acyl carrier protein reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
著者Sacchettini, J.C, Tsai, H.-C.
登録日2008-10-31
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献The fatty acid biosynthesis enzyme FabI plays a key role in the development of liver-stage malarial parasites.
Cell Host Microbe, 4, 2008
1M1M
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BU of 1m1m by Molmil
X-RAY CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS BETA-KETOACYL-ACYL CARRIER PROTEIN SYNTHASE III (MTFABH)
分子名称: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE III
著者Sacchettini, J.C, Sridharan, S, TB Structural Genomics Consortium (TBSGC)
登録日2002-06-19
公開日2002-07-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Probing the mechanism of the Mycobacterium tuberculosis beta-ketoacyl-acyl carrier protein synthase III mtFabH: factors influencing catalysis and substrate specificity.
J.Biol.Chem., 280, 2005
1MAS
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BU of 1mas by Molmil
PURINE NUCLEOSIDE HYDROLASE
分子名称: INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDROLASE, POTASSIUM ION
著者Degano, M, Gopaul, D.N, Scapin, G, Schramm, V.L, Sacchettini, J.C.
登録日1995-12-18
公開日1996-08-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Three-dimensional structure of the inosine-uridine nucleoside N-ribohydrolase from Crithidia fasciculata.
Biochemistry, 35, 1996
2FOI
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BU of 2foi by Molmil
Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase.
分子名称: 4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-3-OL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase
著者Freundlich, J.S, Shieh, H, Anderson, J.W, Kuo, M, Yu, M, Valderramos, J, Karagyozov, L, Tsai, H, Lucumi, E, Jacobs Jr, W.R, Schiehser, G.A, Jacobus, D.P, Fidock, D.A, Sacchettini, J.C.
登録日2006-01-13
公開日2007-01-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献X-ray Structural Analysis of Plasmodium falciparum Enoyl Acyl Carrier Protein Reductase as a Pathway toward the Optimization of Triclosan Antimalarial Efficacy.
J.Biol.Chem., 282, 2007
5JFO
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BU of 5jfo by Molmil
Structure of the M.tuberculosis enoyl-reductase InhA in complex with GSK625
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(1S)-1-(3-methyl-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Gulten, G, Sacchettini, J.C.
登録日2016-04-19
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.907 Å)
主引用文献Antitubercular drugs for an old target: GSK693 as a promising InhA direct inhibitor.
Ebiomedicine, 8, 2016
6DKO
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BU of 6dko by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2,6-F-phenyldiketoacid
分子名称: 4-(2,6-difluorophenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G
著者Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2018-05-30
公開日2018-09-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.556 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
6DNP
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BU of 6dnp by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-F-3-Methyl-6-F-phenyldiketoacid
分子名称: (2Z)-4-(2,6-difluoro-3-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, ...
著者Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC), Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
登録日2018-06-07
公開日2018-09-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.711 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
8GKF
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BU of 8gkf by Molmil
Phosphopantetheinyl transferase PptT from Mycobacterium tuberculosis in complex with Raltitrexed.
分子名称: 4'-phosphopantetheinyl transferase PptT, TOMUDEX
著者Krieger, I.V, Singh, A, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2023-03-18
公開日2024-03-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Redirecting raltitrexed from cancer cell thymidylate synthase to Mycobacterium tuberculosis phosphopantetheinyl transferase.
Sci Adv, 10, 2024
6WSI
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Intact cis-2,3-epoxysuccinic acid bound to Isocitrate Lyase-1 from Mycobacterium tuberculosis
分子名称: (2R,3S)-oxirane-2,3-dicarboxylic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Krieger, I.V, Mellott, D, Meek, T.D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2020-05-01
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.749 Å)
主引用文献Covalent Inactivation of Mycobacterium tuberculosis Isocitrate Lyase by cis -2,3-Epoxy-Succinic Acid.
Acs Chem.Biol., 16, 2021
3C90
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The 1.25 A Resolution Structure of Phosphoribosyl-ATP Pyrophosphohydrolase from Mycobacterium tuberculosis, crystal form II
分子名称: Phosphoribosyl-ATP pyrophosphatase
著者Javid-Majd, F, Yang, D, Ioerger, T.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2008-02-14
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献The 1.25 A resolution structure of phosphoribosyl-ATP pyrophosphohydrolase from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 64, 2008
1F61
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CRYSTAL STRUCTURE OF ISOCITRATE LYASE FROM MYCOBACTERIUM TUBERCULOSIS
分子名称: ISOCITRATE LYASE, MAGNESIUM ION
著者Sharma, V, Sharma, S, Hoener zu Bentrup, K.H, McKinney, J.D, Russell, D.G, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2000-06-19
公開日2000-08-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of isocitrate lyase, a persistence factor of Mycobacterium tuberculosis.
Nat.Struct.Biol., 7, 2000
3CE6
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Crystal structure of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with NAD and adenosine
分子名称: ADENOSINE, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Reddy, M.C.M, Gokulan, K, Shetty, N.D, Owen, J.L, Ioerger, T.R, Sacchettini, J.C.
登録日2008-02-28
公開日2008-09-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 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
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
2GAB
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Human Transthyretin (TTR) Complexed with Hydroxylated polychlorinated Biphenyl-4-hydroxy-3,3',5,4'-tetrachlorobiphenyl
分子名称: 3,3',4',5-TETRACHLOROBIPHENYL-4-OL, Transthyretin
著者Palaninathan, S.K, Smith, C, Safe, S.H, Kelly, J.W, Sacchettini, J.C.
登録日2006-03-08
公開日2006-03-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Hydroxylated polychlorinated biphenyls selectively bind transthyretin in blood and inhibit amyloidogenesis: rationalizing rodent PCB toxicity
Chem.Biol., 11, 2004
2GDN
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Crystal structure of the Mycobacterium tuberculosis beta-lactamase
分子名称: Beta-lactamase
著者Wang, F, Cassidy, C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2006-03-16
公開日2006-04-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Crystal Structure and Activity Studies of the Mycobacterium tuberculosis {beta}-Lactamase Reveal Its Critical Role in Resistance to {beta}-Lactam Antibiotics.
Antimicrob.Agents Chemother., 50, 2006

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