6P1Y
 
 | | Crystal structure of Mtb aspartate decarboxylase mutant M117I | | Descriptor: | AMMONIUM ION, Aspartate 1-decarboxylase alpha chain, Aspartate 1-decarboxylase beta chain, ... | | Authors: | Sun, Q, Li, X, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2019-05-20 | | Release date: | 2020-02-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD.
Nat Commun, 11, 2020
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1NNT
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6PSH
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6PSK
 | | Crystal structure of the complex between periplasmic domains of antiholin RI and holin T from T4 phage, in P6522 | | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Antiholin, ... | | Authors: | Kuznetsov, V.B, Krieger, I.V, Sacchettini, J.C. | | Deposit date: | 2019-07-12 | | Release date: | 2020-06-24 | | Last modified: | 2020-08-12 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Structural Basis of T4 Phage Lysis Control: DNA as the Signal for Lysis Inhibition.
J.Mol.Biol., 432, 2020
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6PXE
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6PX4
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1LD9
 | | THE THREE-DIMENSIONAL STRUCTURE OF AN H-2LD PEPTIDE COMPLEX EXPLAINS THE UNIQUE INTERACTION OF LD WITH BETA2M AND PEPTIDE | | Descriptor: | BETA-2 MICROGLOBULIN, MHC CLASS I H-2LD HEAVY CHAIN, NANO-PEPTIDE | | Authors: | Balendiran, G.K, Solheim, J.C, Young, A.C.M, Hansen, T.H, Nathenson, S.G, Sacchettini, J.C. | | Deposit date: | 1997-04-24 | | Release date: | 1998-05-06 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The three-dimensional structure of an H-2Ld-peptide complex explains the unique interaction of Ld with beta-2 microglobulin and peptide.
Proc.Natl.Acad.Sci.USA, 94, 1997
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1QAP
 | | QUINOLINIC ACID PHOSPHORIBOSYLTRANSFERASE WITH BOUND QUINOLINIC ACID | | Descriptor: | QUINOLINIC ACID, QUINOLINIC ACID PHOSPHORIBOSYLTRANSFERASE | | Authors: | Eads, J.C, Ozturk, D, Wexler, T.B, Grubmeyer, C, Sacchettini, J.C. | | Deposit date: | 1996-09-20 | | Release date: | 1997-03-12 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A new function for a common fold: the crystal structure of quinolinic acid phosphoribosyltransferase.
Structure, 5, 1997
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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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1F8I
 | | CRYSTAL STRUCTURE OF ISOCITRATE LYASE:NITROPROPIONATE:GLYOXYLATE COMPLEX FROM MYCOBACTERIUM TUBERCULOSIS | | Descriptor: | GLYOXYLIC ACID, ISOCITRATE LYASE, MAGNESIUM ION, ... | | Authors: | Sharma, V, Sharma, S, Hoener zu Bentrup, K, McKinney, J.D, Russell, D.G, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2000-06-30 | | Release date: | 2000-12-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure of isocitrate lyase, a persistence factor of Mycobacterium tuberculosis.
Nat.Struct.Biol., 7, 2000
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1F8M
 | | CRYSTAL STRUCTURE OF 3-BROMOPYRUVATE MODIFIED ISOCITRATE LYASE (ICL) FROM MYCOBACTERIUM TUBERCULOSIS | | Descriptor: | ISOCITRATE LYASE, MAGNESIUM ION, PYRUVIC ACID | | Authors: | Sharma, V, Sharma, S, Hoener zu Bentrup, K, McKinney, J.D, Russell, D.G, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2000-06-30 | | Release date: | 2000-12-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of isocitrate lyase, a persistence factor of Mycobacterium tuberculosis.
Nat.Struct.Biol., 7, 2000
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1FPS
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1G5Z
 | | CRYSTAL STRUCTURE OF LYME DISEASE ANTIGEN OUTER SURFACE PROTEIN C (OSPC) FROM BORRELIA BURGDORFERI STRAIN N40 | | Descriptor: | OUTER SURFACE PROTEIN C | | Authors: | Eicken, C, Sharma, V, Klabunde, T, Owens, R.T, Pikas, D.S, Hook, M, Sacchettini, J.C. | | Deposit date: | 2000-11-02 | | Release date: | 2001-04-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Crystal structure of Lyme disease antigen outer surface protein C from Borrelia burgdorferi.
J.Biol.Chem., 276, 2001
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1GKO
 | | An Engineered Transthyretin Monomer that is Non-amyloidogenic - Unless Partially Denatured | | Descriptor: | TRANSTHYRETIN | | Authors: | Jiang, X, Smith, C.S, Petrassi, H.M, Hammarstrom, P, White, J.T, Sacchettini, J.C, Kelly, J.W. | | Deposit date: | 2001-08-17 | | Release date: | 2001-11-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | An Engineered Transthyretin Monomer that is Nonamyloidogenic, Unless It is Partially Denatured
Biochemistry, 40, 2001
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1HOC
 | | THE THREE-DIMENSIONAL STRUCTURE OF H-2DB AT 2.4 ANGSTROMS RESOLUTION: IMPLICATIONS FOR ANTIGEN-DETERMINANT SELECTION | | Descriptor: | 9-RESIDUE PEPTIDE, BETA 2-MICROGLOBULIN, CLASS I HISTOCOMPATIBILITY ANTIGEN (H2-DB) (ALPHA CHAIN) | | Authors: | Young, A.C.M, Zhang, W, Sacchettini, J.C. | | Deposit date: | 1994-01-02 | | Release date: | 1994-04-30 | | Last modified: | 2019-08-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The three-dimensional structure of H-2Db at 2.4 A resolution: implications for antigen-determinant selection
Cell(Cambridge,Mass.), 76, 1994
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1HKW
 | | MYCOBACTERIUM DIAMINOPIMELATE DICARBOXYLASE (LysA) | | Descriptor: | DIAMINOPIMELATE DECARBOXYLASE, SULFATE ION | | Authors: | Gokulan, K, Rupp, B, Pavelka Jr, M.S, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2003-03-11 | | Release date: | 2003-03-18 | | Last modified: | 2019-08-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of Mycobacterium Tuberculosis Diaminopimelate Decarboxylase, an Essential Enzyme in Bacterial Lysine Biosynthesis
J.Biol.Chem., 278, 2003
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4P4L
 | | Crystal Structure of Mycobacterium tuberculosis Shikimate Dehydrogenase | | Descriptor: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, SULFATE ION, Shikimate 5-dehydrogenase AroE (5-dehydroshikimate reductase) | | Authors: | Lalgondar, M, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2014-03-12 | | Release date: | 2015-03-18 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.009 Å) | | Cite: | Structure of Mycobacterium tuberculosis Shikimate Dehydrogenase
To Be Published
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4P4G
 | | Crystal Structure of Mycobacterium tuberculosis Shikimate Dehydrogenase | | Descriptor: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, BROMIDE ION, SULFATE ION, ... | | Authors: | Lalgondar, M, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2014-03-12 | | Release date: | 2015-03-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of Mycobacterium tuberculosis Shikimate Dehydrogenase
To Be Published
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4P4N
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4QXM
 | | Crystal structure of the InhA:GSK_SB713 complex | | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADH], N-(2-chloro-4-fluorobenzyl)-4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Gulten, G, Sacchettini, J.C. | | Deposit date: | 2014-07-21 | | Release date: | 2015-07-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.196 Å) | | Cite: | N-Benzyl-4-((heteroaryl)methyl)benzamides: A New Class of Direct NADH-Dependent 2-trans Enoyl-Acyl Carrier Protein Reductase (InhA) Inhibitors with Antitubercular Activity.
Chemmedchem, 11, 2016
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7M7V
 | | Crystal Structure of Mtb Pks13 Thioesterase domain in complex with Compound 6 | | Descriptor: | 5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-[(2-oxa-6-azaspiro[3.4]octan-6-yl)methyl]-1-benzofuran-3-carboxamide, Polyketide synthase Pks13 | | Authors: | Aggarwal, A, Sacchettini, J.C. | | Deposit date: | 2021-03-29 | | Release date: | 2022-02-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Optimization of TAM16, a Benzofuran That Inhibits the Thioesterase Activity of Pks13; Evaluation toward a Preclinical Candidate for a Novel Antituberculosis Clinical Target.
J.Med.Chem., 65, 2022
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7N8L
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7N8M
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7N8E
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6AU9
 | | Crystal structure of Mycobacterium tuberculosis malate synthase in complex with dioxine-phenyldiketoacid | | Descriptor: | (2Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-4-oxobut-2-enoic acid, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | | Authors: | Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2017-08-31 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
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