6UX6
| Cruzain covalently bound by a vinylsulfone compound | Descriptor: | Cruzipain, GLYCEROL, Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-1-phenyl-4-(phenylsulfonyl)butan-2-yl]-L-phenylalaninamide | Authors: | Zhai, X, Tang, S, Chenna, B.C, Meek, T.D, Sacchettini, J.C. | Deposit date: | 2019-11-06 | Release date: | 2020-11-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Cruzain covalently bound by a vinylsulfone compound To Be Published
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2ZIZ
| Crystal structure of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with NAD and 3-deazaadenosine | Descriptor: | 3-DEAZA-ADENOSINE, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Reddy, M.C.M, Gokulan, K, Shetty, N.D, Owen, J.L, Ioerger, T.R, Sacchettini, J.C. | Deposit date: | 2008-02-29 | Release date: | 2008-09-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with substrate and inhibitors. Protein Sci., 17, 2008
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1DIH
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3BV0
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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: | 2023-08-09 | 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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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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3CE6
| Crystal structure of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with NAD and adenosine | Descriptor: | ADENOSINE, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Reddy, M.C.M, Gokulan, K, Shetty, N.D, Owen, J.L, Ioerger, T.R, Sacchettini, J.C. | Deposit date: | 2008-02-28 | Release date: | 2008-09-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with substrate and inhibitors. Protein Sci., 17, 2008
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4XRB
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5CJN
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1ICN
| ESCHERICHIA COLI-DERIVED RAT INTESTINAL FATTY ACID BINDING PROTEIN WITH BOUND MYRISTATE AT 1.5 A RESOLUTION AND I-FABPARG106-->GLN WITH BOUND OLEATE AT 1.74 A RESOLUTION | Descriptor: | INTESTINAL FATTY ACID BINDING PROTEIN, OLEIC ACID | Authors: | Eads, J.C, Sacchettini, J.C, Kromminga, A, Gordon, J.I. | Deposit date: | 1993-09-20 | Release date: | 1994-01-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Escherichia coli-derived rat intestinal fatty acid binding protein with bound myristate at 1.5 A resolution and I-FABPArg106-->Gln with bound oleate at 1.74 A resolution. J.Biol.Chem., 268, 1993
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1ICM
| ESCHERICHIA COLI-DERIVED RAT INTESTINAL FATTY ACID BINDING PROTEIN WITH BOUND MYRISTATE AT 1.5 A RESOLUTION AND I-FABPARG106-->GLN WITH BOUND OLEATE AT 1.74 A RESOLUTION | Descriptor: | INTESTINAL FATTY ACID BINDING PROTEIN, MYRISTIC ACID | Authors: | Eads, J.C, Sacchettini, J.C, Kromminga, A, Gordon, J.I. | Deposit date: | 1993-09-20 | Release date: | 1994-01-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Escherichia coli-derived rat intestinal fatty acid binding protein with bound myristate at 1.5 A resolution and I-FABPArg106-->Gln with bound oleate at 1.74 A resolution. J.Biol.Chem., 268, 1993
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3BZQ
| High resolution crystal structure of Nitrogen Regulatory Protein (Rv2919c) of Mycobacterium tuberculosis | Descriptor: | Nitrogen regulatory protein P-II | Authors: | Reddy, M.C, Palaninathan, S.K, Shetty, N.D, Owen, J.L, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2008-01-18 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structures of the apo and ATP bound Mycobacterium tuberculosis nitrogen regulatory PII protein. Protein Sci., 19, 2010
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1EAL
| NMR STUDY OF ILEAL LIPID BINDING PROTEIN | Descriptor: | ILEAL LIPID BINDING PROTEIN | Authors: | Luecke, C, Zhang, F, Rueterjans, H, Hamilton, J.A, Sacchettini, J.C. | Deposit date: | 1996-08-28 | Release date: | 1997-01-22 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | Flexibility is a likely determinant of binding specificity in the case of ileal lipid binding protein. Structure, 4, 1996
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6OZ8
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6CT5
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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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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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5C7V
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5CAH
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5C9X
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5CBB
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5C9U
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5CBI
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5CJM
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5C9W
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