4RBS
 
 | | Crystal Structure of New Delhi Metallo-beta-Lactamase-1 in the Complex with Hydrolyzed Meropenem | | Descriptor: | (2S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3-methyl-2H-pyrro le-5-carboxylic acid, ACETIC ACID, Beta-lactamase NDM-1, ... | | Authors: | Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, G, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | Deposit date: | 2014-09-12 | | Release date: | 2014-11-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.405 Å) | | Cite: | Crystal Structure of New Delhi Metallo-beta-Lactamase-1 in the Complex with Hydrolyzed Meropenem
To be Published
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4RAW
 | | Crystal Structure of New Delhi Metallo-beta-Lactamase-1 Mutant M67V Complexed with Hydrolyzed Ampicillin | | Descriptor: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase NDM-1, ... | | Authors: | Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, G, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | Deposit date: | 2014-09-11 | | Release date: | 2014-11-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.302 Å) | | Cite: | Crystal Structure of New Delhi Metallo-beta-Lactamase-1 Mutant M67V Complexed with Hydrolyzed Ampicillin
To be Published
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4IR7
 | | Crystal Structure of Mtb FadD10 in Complex with Dodecanoyl-AMP | | Descriptor: | 5'-O-[(S)-(dodecanoyloxy)(hydroxy)phosphoryl]adenosine, Long chain fatty acid CoA ligase FadD10, MAGNESIUM ION | | Authors: | Liu, Z, Wang, F, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2013-01-14 | | Release date: | 2013-05-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structures of Mycobacterium tuberculosis FadD10 protein reveal a new type of adenylate-forming enzyme.
J.Biol.Chem., 288, 2013
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4ISB
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1VRW
 | | Crystal structure analysis of plasmodium falciparum enoyl-acyl-carrier-protein reductase with nadh | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE 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: | 2005-06-30 | | Release date: | 2005-07-05 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 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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3HEM
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3HDE
 | | Crystal structure of full-length endolysin R21 from phage 21 | | Descriptor: | Lysozyme | | Authors: | Sun, Q, Arockiasamy, A, McKee, E, Caronna, E, Sacchettini, J.C. | | Deposit date: | 2009-05-07 | | Release date: | 2009-11-03 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Regulation of a muralytic enzyme by dynamic membrane topology.
Nat.Struct.Mol.Biol., 16, 2009
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1SBD
 | | SOYBEAN AGGLUTININ COMPLEXED WITH 2,4-PENTASACCHARIDE | | Descriptor: | CALCIUM ION, MANGANESE (II) ION, SOYBEAN AGGLUTININ, ... | | Authors: | Dessen, A, Olsen, L.R, Gupta, D, Sabesan, S, Brewer, C.F, Sacchettini, J.C. | | Deposit date: | 1995-07-13 | | Release date: | 1998-04-22 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | X-ray crystallographic studies of unique cross-linked lattices between four isomeric biantennary oligosaccharides and soybean agglutinin.
Biochemistry, 36, 1997
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1SBE
 | | SOYBEAN AGGLUTININ FROM GLYCINE MAX | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MANGANESE (II) ION, ... | | Authors: | Dessen, A, Olsen, L.R, Gupta, D, Sabesan, S, Sacchettini, J.C, Brewer, C.F. | | Deposit date: | 1995-07-13 | | Release date: | 1998-04-22 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | X-ray crystallographic studies of unique cross-linked lattices between four isomeric biantennary oligosaccharides and soybean agglutinin.
Biochemistry, 36, 1997
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6CT5
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4M2X
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1SBF
 | | SOYBEAN AGGLUTININ | | Descriptor: | CALCIUM ION, MANGANESE (II) ION, SOYBEAN AGGLUTININ, ... | | Authors: | Olsen, L.R, Dessen, A, Gupta, D, Sabesan, S, Brewer, C.F, Sacchettini, J.C. | | Deposit date: | 1997-10-21 | | Release date: | 1998-04-22 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | X-ray crystallographic studies of unique cross-linked lattices between four isomeric biantennary oligosaccharides and soybean agglutinin.
Biochemistry, 36, 1997
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1L8W
 | | Crystal Structure of Lyme Disease Variable Surface Antigen VlsE of Borrelia burgdorferi | | Descriptor: | VlsE1 | | Authors: | Eicken, C, Sharma, V, Klabunde, T, Lawrenz, M.B, Hardham, J.M, Norris, S.J, Sacchettini, J.C. | | Deposit date: | 2002-03-21 | | Release date: | 2002-06-19 | | Last modified: | 2018-03-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of Lyme disease variable surface antigen VlsE of Borrelia burgdorferi.
J.Biol.Chem., 277, 2002
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6CZ6
 | | Mycobacterium tuberculosis transcriptional regulator | | Descriptor: | COENZYME A, HTH-type transcriptional regulator PrpR, IRON/SULFUR CLUSTER | | Authors: | Tang, S, Sacchettini, J. | | Deposit date: | 2018-04-08 | | Release date: | 2019-04-17 | | Last modified: | 2019-10-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and functional insight into the Mycobacterium tuberculosis protein PrpR reveals a novel type of transcription factor.
Nucleic Acids Res., 47, 2019
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2NQ8
 | | Malarial enoyl acyl ACP reductase bound with INH-NAD adduct | | Descriptor: | Enoyl-acyl carrier reductase, ISONICOTINIC-ACETYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE | | Authors: | Freundlich, J.S, Yu, M, Lucumi, E, Kuo, M, Tsai, H.C, Valderramos, J.C, Karagyozov, L, Jacobs Jr, W.R, Schiehser, G.A, Fidock, D.A, Jacobus, D.P, Sacchettini, J.C. | | Deposit date: | 2006-10-30 | | Release date: | 2007-07-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | 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
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1XJU
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4KBJ
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2MAS
 | | PURINE NUCLEOSIDE HYDROLASE WITH A TRANSITION STATE INHIBITOR | | Descriptor: | 2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL-PYRROLIDINE-3,4-DIOL, CALCIUM ION, INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDROLASE | | Authors: | Degano, M, Schramm, V.L, Sacchettini, J.C. | | Deposit date: | 1996-10-17 | | Release date: | 1997-08-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Trypanosomal nucleoside hydrolase. A novel mechanism from the structure with a transition-state inhibitor.
Biochemistry, 37, 1998
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1P44
 | | Targeting tuberculosis and malaria through inhibition of enoyl reductase: compound activity and structural data | | Descriptor: | 5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN-1-YL]CARBONYL}-1H-INDOLE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Kuo, M.R, Morbidoni, H.R, Alland, D, Sneddon, S.F, Gourlie, B.B, Staveski, M.M, Leonard, M, Gregory, J.S, Janjigian, A.D, Yee, C, Musser, J.M, Kreiswirth, B, Iwamoto, H, Perozzo, R, Jacobs Jr, W.R, Sacchettini, J.C, Fidock, D.A, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2003-04-21 | | Release date: | 2003-09-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Targeting tuberculosis and malaria through inhibition of Enoyl reductase: compound activity and structural data.
J.Biol.Chem., 278, 2003
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3SAZ
 | | Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(3-bromophenyl)-2,4-dioxobutanoic acid inhibitor | | Descriptor: | 4-(3-bromophenyl)-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 (2.04 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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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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3S9I
 | | Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-4-dioxo-4-phenylbutanoic acid inhibitor | | Descriptor: | 2-4-DIOXO-4-PHENYLBUTANOIC ACID, MAGNESIUM ION, Malate synthase G | | Authors: | Krieger, I.V, Sun, Q, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) | | Deposit date: | 2011-06-01 | | Release date: | 2012-11-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 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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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
 | | 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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4KBM
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