4FNB
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![BU of 4fnb by Molmil](/molmil-images/mine/4fnb) | Crystal structure of the Mtb enoyl CoA isomerase (Rv0632c) in complex with hydroxybutyrl CoA | Descriptor: | 3-HYDROXYBUTANOYL-COENZYME A, Enoyl-CoA hydratase/isomerase family protein, SULFATE ION | Authors: | Bruning, J.B, Gao, N, Hernandez, E.D, Li, H, Dang, N, Hung, L.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2012-06-19 | Release date: | 2013-05-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure and Mechanism of the Prokaryotic Enoyl CoA Isomerase To be Published
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1QPO
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1DIH
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![BU of 1dih by Molmil](/molmil-images/mine/1dih) | |
4FJW
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1NNU
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![BU of 1nnu by Molmil](/molmil-images/mine/1nnu) | Crystal Structure Analysis of Plasmodium falciparum enoyl-acyl-carrier-protein reductase with Triclosan Analog | Descriptor: | 6-(4-CHLORO-2-HYDROXY-PHENOXY)-NAPHTHALEN-2-OL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase | Authors: | Perozzo, R, Kuo, M, Sidhu, A.S, Valiyaveettil, J.T, Bittman, R, Jacobs Jr, W.R, Fidock, D.A, Sacchettini, J.C. | Deposit date: | 2003-01-14 | Release date: | 2003-02-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Elucidation of the Specificity of the Antibacterial Agent Triclosan for
Malarial Enoyl Acyl Carrier Protein Reductase J.Biol.Chem., 277, 2002
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4FND
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![BU of 4fnd by Molmil](/molmil-images/mine/4fnd) | Crystal structure of the Mtb enoyl CoA isomerase in complex with hydroxyhexanoyl CoA | Descriptor: | (S)-3-Hydroxyhexanoyl-CoA, Enoyl-CoA hydratase/isomerase family protein, SULFATE ION | Authors: | Bruning, J.B, Gao, N, Hernandez, E.D, Li, H, Dang, N, Hung, L.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2012-06-19 | Release date: | 2013-05-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure and mechanism of the prokaryotic enoyl CoA isomerase To be Published
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4FOG
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![BU of 4fog by Molmil](/molmil-images/mine/4fog) | Crystal Structure of Mtb ThyA in Complex with 5-Fluoro-dUMP and 5-methyltetrahydrofolic acid | Descriptor: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, Thymidylate synthase | Authors: | Reddy, M.C.M, Bruning, J.B, Harshbarger, W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2012-06-20 | Release date: | 2013-08-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 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
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4FOX
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![BU of 4fox by Molmil](/molmil-images/mine/4fox) | Crystal Structure of Mtb ThyA in complex with dUMP and Raltitrexed | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, TOMUDEX, Thymidylate synthase | Authors: | Reddy, M.C.M, Bruning, J.B, Sacchettini, J.C, Harshbarger, W, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2012-06-21 | Release date: | 2013-08-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 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
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4G2R
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![BU of 4g2r by Molmil](/molmil-images/mine/4g2r) | Crystal Structure of the carboxyltransferase subunit of ACC (AccD6) in complex with inhibitor haloxyfop from Mycobacterium tuberculosis | Descriptor: | (2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid, AccD6, Carboxyltransferase beta-subunit of Acyl-CoA Carboxylase | Authors: | Reddy, M.C.M, Bruning, J.B, Thurman, C, Sherekar, M, Valluru, S, Ehrenfeld, H, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2012-07-12 | Release date: | 2014-02-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structure, Activity, and Inhibition of the Carboxyltransferase beta-Subunit of Acetyl Coenzyme A Carboxylase (AccD6) from Mycobacterium tuberculosis. Antimicrob.Agents Chemother., 58, 2014
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3QJA
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3T40
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![BU of 3t40 by Molmil](/molmil-images/mine/3t40) | Crystal Structure of Mycobacterium tuberculosis Indole Glycerol Phosphate Synthase (IGPS) complex with N-2-Carboxyphenyl Glycine (CPG) | Descriptor: | 2-[(carboxymethyl)amino]benzoic acid, Indole-3-glycerol phosphate synthase, SULFATE ION | Authors: | Reddy, M.C.M, Bruning, J.B, Thurman, C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2011-07-25 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.752 Å) | Cite: | Structural Insights and Inhibition of Mycobacterium tuberculosis Indole Glycerol Phosphate Synthase (IGPS): an Essential Enzyme for Tryptophan Biosynthesis To be Published
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1R1V
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![BU of 1r1v by Molmil](/molmil-images/mine/1r1v) | Crystal structure of the metal-sensing transcriptional repressor CzrA from Staphylococcus aureus in the Zn2-form | Descriptor: | ZINC ION, repressor protein | Authors: | Eicken, C, Pennella, M.A, Chen, X, Koshlap, K.M, VanZile, M.L, Sacchettini, J.C, Giedroc, D.P. | Deposit date: | 2003-09-25 | Release date: | 2004-05-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A metal-ligand-mediated intersubunit allosteric switch in related SmtB/ArsR zinc sensor proteins. J.Mol.Biol., 333, 2003
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1R22
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![BU of 1r22 by Molmil](/molmil-images/mine/1r22) | Crystal structure of the cyanobacterial metallothionein repressor SmtB (C14S/C61S/C121S mutant) in the Zn2alpha5-form | Descriptor: | Transcriptional repressor smtB, ZINC ION | Authors: | Eicken, C, Pennella, M.A, Chen, X, Koshlap, K.M, VanZile, M.L, Sacchettini, J.C, Giedroc, D.P. | Deposit date: | 2003-09-25 | Release date: | 2004-05-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A metal-ligand-mediated intersubunit allosteric switch in related SmtB/ArsR zinc sensor proteins. J.Mol.Biol., 333, 2003
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1R8J
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1UCL
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![BU of 1ucl by Molmil](/molmil-images/mine/1ucl) | Mutants of RNase Sa | Descriptor: | Guanyl-specific ribonuclease Sa, SULFATE ION | Authors: | Takano, K, Scholtz, J.M, Sacchettini, J.C, Pace, C.N. | Deposit date: | 2003-04-15 | Release date: | 2003-09-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | The contribution of polar group burial to protein stability is strongly context-dependent J.Biol.Chem., 278, 2003
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3FGN
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3FMI
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![BU of 3fmi by Molmil](/molmil-images/mine/3fmi) | |
1SFR
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![BU of 1sfr by Molmil](/molmil-images/mine/1sfr) | Crystal Structure of the Mycobacterium tuberculosis Antigen 85A Protein | Descriptor: | Antigen 85-A | Authors: | Ronning, D.R, Vissa, V, Besra, G.S, Belisle, J.T, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2004-02-20 | Release date: | 2004-07-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Mycobacterium tuberculosis Antigen 85A and 85C Structures Confirm Binding Orientation and Conserved Substrate Specificity J.Biol.Chem., 279, 2004
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3SB0
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![BU of 3sb0 by Molmil](/molmil-images/mine/3sb0) | Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(2-chloro-6-fluoro-3-methylphenyl)-2,4-dioxobutanoic acid inhibitor | Descriptor: | 4-(2-chloro-6-fluoro-3-methylphenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G | Authors: | Krieger, I.V, Sun, Q, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) | Deposit date: | 2011-06-03 | Release date: | 2012-11-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.199 Å) | Cite: | Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase. Chem.Biol., 19, 2012
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1UCI
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![BU of 1uci by Molmil](/molmil-images/mine/1uci) | Mutants of RNase Sa | Descriptor: | Guanyl-specific ribonuclease Sa, SULFATE ION | Authors: | Takano, K, Scholtz, J.M, Sacchettini, J.C, Pace, C.N. | Deposit date: | 2003-04-15 | Release date: | 2003-09-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The contribution of polar group burial to protein stability is strongly context-dependent J.Biol.Chem., 278, 2003
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3FPA
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1R1T
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![BU of 1r1t by Molmil](/molmil-images/mine/1r1t) | Crystal structure of the cyanobacterial metallothionein repressor SmtB in the apo-form | Descriptor: | Transcriptional repressor smtB | Authors: | Eicken, C, Pennella, M.A, Chen, X, Koshlap, K.M, VanZile, M.L, Sacchettini, J.C, Giedroc, D.P. | Deposit date: | 2003-09-25 | Release date: | 2004-05-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A metal-ligand-mediated intersubunit allosteric switch in related SmtB/ArsR zinc sensor proteins. J.Mol.Biol., 333, 2003
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3SAD
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![BU of 3sad by Molmil](/molmil-images/mine/3sad) | Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(2-mehtylphenyl)-2,4-dioxobutanoic acid inhibitor | Descriptor: | 4-(2-methylphenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G | Authors: | Krieger, I.V, Sun, Q, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) | Deposit date: | 2011-06-02 | Release date: | 2012-11-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase. Chem.Biol., 19, 2012
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3DRD
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3DU4
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