2Y1C
| X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with manganese. | Descriptor: | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION | Authors: | Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A. | Deposit date: | 2010-12-08 | Release date: | 2011-06-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase J.Med.Chem, 54, 2011
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2A39
| HUMICOLA INSOLENS ENDOCELLULASE EGI NATIVE STRUCTURE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENDOGLUCANASE I | Authors: | Davies, G.J, Sulzenbacher, G, Mackenzie, L, Withers, S.G, Divne, C, Jones, T.A, Woldike, H.F, Schulein, M. | Deposit date: | 1998-01-30 | Release date: | 1999-02-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of the family 7 endoglucanase I (Cel7B) from Humicola insolens at 2.2 A resolution and identification of the catalytic nucleophile by trapping of the covalent glycosyl-enzyme intermediate. Biochem.J., 335, 1998
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3CAI
| Crystal structure of Mycobacterium tuberculosis Rv3778c protein | Descriptor: | POSSIBLE AMINOTRANSFERASE | Authors: | Covarrubias, A.S, Larsson, A.M, Jones, T.A, Bergfors, T, Mowbray, S.L, Unge, T. | Deposit date: | 2008-02-20 | Release date: | 2008-03-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure and biochemical function studies of Mycobacterium tuberculosis essential protein Rv3778c To be published
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4A03
| Crystal Structure of Mycobacterium tuberculosis DXR in complex with the antibiotic FR900098 and cofactor NADPH | Descriptor: | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, 3-[ethanoyl(hydroxy)amino]propylphosphonic acid, GLYCEROL, ... | Authors: | Bjorkelid, C, Bergfors, T, Jones, T.A. | Deposit date: | 2011-09-07 | Release date: | 2012-01-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Studies on Mycobacterium Tuberculosis Dxr in Complex with the Antibiotic Fr-900098. Acta Crystallogr.,Sect.D, 68, 2012
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4AIC
| X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with fosmidomycin, manganese and NADPH | Descriptor: | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, MANGANESE (II) ION, ... | Authors: | Henriksson, L.M, Unge, T, Jones, T.A, Mowbray, S.L. | Deposit date: | 2012-02-09 | Release date: | 2012-02-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structures of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose- 5-Phosphate Reductoisomerase Provide New Insights Into Catalysis. J.Biol.Chem., 282, 2007
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4BFX
| Crystal structure of Mycobacterium tuberculosis PanK in complex with a triazole inhibitory compound (1f) and phosphate | Descriptor: | 2,6-difluoro-N-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide, PANTOTHENATE KINASE, PHOSPHATE ION | Authors: | Bjorkelid, C, Bergfors, T, Jones, T.A. | Deposit date: | 2013-03-22 | Release date: | 2013-05-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and Biochemical Characterization of Compounds Inhibiting Mycobacterium Tuberculosis Pank J.Biol.Chem., 288, 2013
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4BFS
| Crystal structure of Mycobacterium tuberculosis PanK in complex with a triazole inhibitory compound (1a) | Descriptor: | N-[1-(5-{[2-(4-FLUOROPHENOXY)ETHYL]SULFANYL}-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)ETHYL]-2-(TRIFLUOROMETHYL)BENZAMIDE, PANTOTHENATE KINASE | Authors: | Bjorkelid, C, Bergfors, T, Jones, T.A. | Deposit date: | 2013-03-22 | Release date: | 2013-05-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural and Biochemical Characterization of Compounds Inhibiting Mycobacterium Tuberculosis Pank J.Biol.Chem., 288, 2013
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4BFU
| Crystal structure of Mycobacterium tuberculosis PanK in complex with a triazole inhibitory compound (1c) and phosphate | Descriptor: | N-[1-(5-{[(4-fluorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide, PANTOTHENATE KINASE, PHOSPHATE ION | Authors: | Bjorkelid, C, Bergfors, T, Jones, T.A. | Deposit date: | 2013-03-22 | Release date: | 2013-05-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural and Biochemical Characterization of Compounds Inhibiting Mycobacterium Tuberculosis Pank J.Biol.Chem., 288, 2013
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1YLK
| Crystal Structure of Rv1284 from Mycobacterium tuberculosis in Complex with Thiocyanate | Descriptor: | Hypothetical protein Rv1284/MT1322, THIOCYANATE ION, ZINC ION | Authors: | Covarrubias, A.S, Larsson, A.M, Hogbom, M, Lindberg, J, Bergfors, T, Bjorkelid, C, Mowbray, S.L, Unge, T, Jones, T.A, Structural Proteomics in Europe (SPINE) | Deposit date: | 2005-01-19 | Release date: | 2005-03-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and function of carbonic anhydrases from Mycobacterium tuberculosis. J.Biol.Chem., 280, 2005
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2A5V
| Crystal structure of M. tuberculosis beta carbonic anhydrase, Rv3588c, tetrameric form | Descriptor: | CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE), THIOCYANATE ION, ZINC ION | Authors: | Covarrubias, A.S, Bergfors, T, Jones, T.A, Hogbom, M. | Deposit date: | 2005-07-01 | Release date: | 2005-09-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Mechanics of the pH-dependent Activity of beta-Carbonic Anhydrase from Mycobacterium tuberculosis J.Biol.Chem., 281, 2006
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1YM3
| Crystal Structure of carbonic anhydrase RV3588c from Mycobacterium tuberculosis | Descriptor: | CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE), MAGNESIUM ION, ZINC ION | Authors: | Covarrubias, A.S, Larsson, A.M, Hogbom, M, Lindberg, J, Bergfors, T, Bjorkelid, C, Mowbray, S.L, Unge, T, Jones, T.A, Structural Proteomics in Europe (SPINE) | Deposit date: | 2005-01-20 | Release date: | 2005-03-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure and function of carbonic anhydrases from Mycobacterium tuberculosis. J.Biol.Chem., 280, 2005
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2B43
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2BOF
| Catalytic domain of endo-1,4-glucanase Cel6A mutant Y73S from Thermobifida fusca in complex with cellotetrose | Descriptor: | ENDOGLUCANASE E-2, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Larsson, A.M, Bergfors, T, Dultz, E, Irwin, D.C, Roos, A, Driguez, H, Wilson, D.B, Jones, T.A. | Deposit date: | 2005-04-10 | Release date: | 2005-10-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Crystal Structure of Thermobifida Fusca Endoglucanase Cel6A in Complex with Substrate and Inhibitor: The Role of Tyrosine Y73 in Substrate Ring Distortion. Biochemistry, 44, 2005
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2BI0
| RV0216, A conserved hypothetical protein from Mycobacterium tuberculosis that is essential for bacterial survival during infection, has a double hotdogfold | Descriptor: | CHLORIDE ION, HYPOTHETICAL PROTEIN RV0216 | Authors: | Castell, A, Johansson, P, Unge, T, Jones, T.A, Backbro, K. | Deposit date: | 2005-01-20 | Release date: | 2005-04-25 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rv0216, a Conserved Hypothetical Protein from Mycobacterium Tuberculosis that is Essential for Bacterial Survival During Infection, Has a Double Hotdog Fold Protein Sci., 14, 2005
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2BOD
| Catalytic domain of endo-1,4-glucanase Cel6A from Thermobifida fusca in complex with methyl cellobiosyl-4-thio-beta-cellobioside | Descriptor: | ENDOGLUCANASE E-2, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-4-thio-beta-D-glucopyranose-(1-4)-methyl beta-D-glucopyranoside | Authors: | Larsson, A.M, Bergfors, T, Dultz, E, Irwin, D.C, Roos, A, Driguez, H, Wilson, D.B, Jones, T.A. | Deposit date: | 2005-04-10 | Release date: | 2005-10-05 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of Thermobifida Fusca Endoglucanase Cel6A in Complex with Substrate and Inhibitor: The Role of Tyrosine Y73 in Substrate Ring Distortion. Biochemistry, 44, 2005
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1BH5
| HUMAN GLYOXALASE I Q33E, E172Q DOUBLE MUTANT | Descriptor: | LACTOYLGLUTATHIONE LYASE, S-HEXYLGLUTATHIONE, ZINC ION | Authors: | Cameron, A.D, Jones, T.A. | Deposit date: | 1998-06-13 | Release date: | 1998-11-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Involvement of an active-site Zn2+ ligand in the catalytic mechanism of human glyoxalase I. J.Biol.Chem., 273, 1998
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1EGN
| CELLOBIOHYDROLASE CEL7A (E223S, A224H, L225V, T226A, D262G) MUTANT | Descriptor: | 1,4-BETA-D-GLUCAN CELLOBIOHYDROLASE CEL7A, 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION | Authors: | Stahlberg, J, Harris, M, Jones, T.A. | Deposit date: | 2000-02-16 | Release date: | 2001-05-16 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Engineering of a glycosidase Family 7 cellobiohydrolase to more alkaline pH optimum: the pH behaviour of Trichoderma reesei Cel7A and its E223S/ A224H/L225V/T226A/D262G mutant. Biochem.J., 356, 2001
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2WA1
| Structure of the methyltransferase domain from Modoc Virus, a Flavivirus with No Known Vector (NKV) | Descriptor: | NON-STRUCTURAL PROTEIN 5, SULFATE ION | Authors: | Jansson, A.M, Johansson, P, Jones, T.A. | Deposit date: | 2009-02-02 | Release date: | 2009-08-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the Methyltransferase Domain from the Modoc Virus, a Flavivirus with No Known Vector. Acta Crystallogr.,Sect.D, 65, 2009
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2WA2
| Structure of the methyltransferase domain from Modoc Virus, a Flavivirus with No Known Vector (NKV) | Descriptor: | NON-STRUCTURAL PROTEIN 5, S-ADENOSYLMETHIONINE, SULFATE ION | Authors: | Jansson, A.M, Johansson, P, Jones, T.A. | Deposit date: | 2009-02-02 | Release date: | 2009-08-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of the Methyltransferase Domain from the Modoc Virus, a Flavivirus with No Known Vector. Acta Crystallogr.,Sect.D, 65, 2009
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2XWN
| Crystal structure of IspD from Mycobacterium tuberculosis in complex with CTP and Mg | Descriptor: | 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION | Authors: | Bjorkelid, C, Bergfors, T, Unge, T, Jones, T.A. | Deposit date: | 2010-11-04 | Release date: | 2011-04-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural and Functional Studies on Mycobacterial Ispd Enzymes Acta Crystallogr.,Sect.D, 67, 2011
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2XWL
| Crystal structure of IspD from Mycobacterium smegmatis in complex with CTP and Mg | Descriptor: | 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION | Authors: | Bjorkelid, C, Bergfors, T, Unge, T, Jones, T.A. | Deposit date: | 2010-11-04 | Release date: | 2011-04-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structural and Functional Studies on Mycobacterial Ispd Enzymes Acta Crystallogr.,Sect.D, 67, 2011
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2XWM
| Crystal structure of IspD from Mycobacterium smegmatis in complex with CMP | Descriptor: | 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CYTIDINE-5'-MONOPHOSPHATE | Authors: | Bjorkelid, C, Bergfors, T, Unge, T, Jones, T.A. | Deposit date: | 2010-11-04 | Release date: | 2011-04-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Functional Studies on Mycobacterial Ispd Enzymes Acta Crystallogr.,Sect.D, 67, 2011
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1LBT
| LIPASE (E.C.3.1.1.3) (TRIACYLGLYCEROL HYDROLASE) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LIPASE B, METHYLPENTA(OXYETHYL) HEPTADECANOATE | Authors: | Uppenberg, J, Jones, T.A. | Deposit date: | 1995-07-11 | Release date: | 1995-10-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystallographic and molecular-modeling studies of lipase B from Candida antarctica reveal a stereospecificity pocket for secondary alcohols. Biochemistry, 34, 1995
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1LBS
| LIPASE (E.C.3.1.1.3) (TRIACYLGLYCEROL HYDROLASE) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LIPASE B, N-HEXYLPHOSPHONATE ETHYL ESTER | Authors: | Uppenberg, J, Jones, T.A. | Deposit date: | 1995-07-11 | Release date: | 1995-10-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystallographic and molecular-modeling studies of lipase B from Candida antarctica reveal a stereospecificity pocket for secondary alcohols. Biochemistry, 34, 1995
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1GSD
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