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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4CEL
 | | ACTIVE-SITE MUTANT D214N DETERMINED AT PH 6.0 WITH NO LIGAND BOUND IN THE ACTIVE SITE | | Descriptor: | 1,4-BETA-D-GLUCAN CELLOBIOHYDROLASE I, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION | | Authors: | Divne, C, Stahlberg, J, Jones, T.A. | | Deposit date: | 1996-08-24 | | Release date: | 1997-03-12 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Activity studies and crystal structures of catalytically deficient mutants of cellobiohydrolase I from Trichoderma reesei.
J.Mol.Biol., 264, 1996
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2CEL
 | | ACTIVE-SITE MUTANT E212Q DETERMINED AT PH 6.0 WITH NO LIGAND BOUND IN THE ACTIVE SITE | | Descriptor: | 1,4-BETA-D-GLUCAN CELLOBIOHYDROLASE I, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION | | Authors: | Divne, C, Stahlberg, J, Jones, T.A. | | Deposit date: | 1996-08-24 | | Release date: | 1997-03-12 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Activity studies and crystal structures of catalytically deficient mutants of cellobiohydrolase I from Trichoderma reesei.
J.Mol.Biol., 264, 1996
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1CBR
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1CRB
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1DY4
 | | CBH1 IN COMPLEX WITH S-PROPRANOLOL | | Descriptor: | 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, ... | | Authors: | Stahlberg, J, Henriksson, H, Divne, C, Isaksson, R, Pettersson, G, Johansson, G, Jones, T.A. | | Deposit date: | 2000-01-26 | | Release date: | 2000-12-18 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis for Enantiomer Binding and Separation of a Common Beta-Blocker: Crystal Structure of Cellobiohydrolase Cel7A with Bound (S)-Propranolol at 1.9 A Resolution
J.Mol.Biol., 305, 2001
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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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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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2WGS
 | | Crystal structure of Mycobacterium Tuberculosis Glutamine Synthetase in complex with a purine analogue inhibitor. | | Descriptor: | 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione, CHLORIDE ION, GLUTAMINE SYNTHETASE 1 | | Authors: | Nilsson, M.T, Krajewski, W.W, Jones, T.A, Mowbray, S.L. | | Deposit date: | 2009-04-27 | | Release date: | 2009-09-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural Basis for the Inhibition of Mycobacterium Tuberculosis Glutamine Synthetase by Novel ATP-Competitive Inhibitors.
J.Mol.Biol., 393, 2009
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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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2CA2
 | | CRYSTALLOGRAPHIC STUDIES OF INHIBITOR BINDING SITES IN HUMAN CARBONIC ANHYDRASE II. A PENTACOORDINATED BINDING OF THE SCN-ION TO THE ZINC AT HIGH P*H | | Descriptor: | CARBONIC ANHYDRASE II, MERCURY (II) ION, THIOCYANATE ION, ... | | Authors: | Eriksson, A.E, Kylsten, P.M, Jones, T.A, Liljas, A. | | Deposit date: | 1989-02-06 | | Release date: | 1990-01-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystallographic studies of inhibitor binding sites in human carbonic anhydrase II: a pentacoordinated binding of the SCN- ion to the zinc at high pH.
Proteins, 4, 1988
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2WHI
 | | Crystal structure of Mycobacterium Tuberculosis Glutamine Synthetase in complex with a purine analogue inhibitor and L-methionine-S- sulfoximine phosphate. | | Descriptor: | 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione, CHLORIDE ION, GLUTAMINE SYNTHETASE 1, ... | | Authors: | Nilsson, M.T, Krajewski, W.W, Jones, T.A, Mowbray, S.L. | | Deposit date: | 2009-05-05 | | Release date: | 2009-09-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis for the Inhibition of Mycobacterium Tuberculosis Glutamine Synthetase by Novel ATP-Competitive Inhibitors.
J.Mol.Biol., 393, 2009
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2JCY
 | | X-ray structure of mutant 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis | | Descriptor: | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, SULFATE ION | | Authors: | Henriksson, L.M, Unge, T, Jones, T.A, Mowbray, S.L. | | Deposit date: | 2007-01-04 | | Release date: | 2007-05-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.35 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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2JD1
 | | X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with manganese and NADPH | | Descriptor: | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Henriksson, L.M, Unge, T, Jones, T.A, Mowbray, S.L. | | Deposit date: | 2007-01-04 | | Release date: | 2007-05-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 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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2JCV
 | | X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with fosmidomycin and NADPH | | Descriptor: | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Henriksson, L.M, Unge, T, Jones, T.A, Mowbray, S.L. | | Deposit date: | 2007-01-04 | | Release date: | 2007-05-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 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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2JD2
 | | 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, SULFATE ION | | Authors: | Henriksson, L.M, Unge, T, Jones, T.A, Mowbray, S.L. | | Deposit date: | 2007-01-04 | | Release date: | 2007-05-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 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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2JD0
 | | X-ray structure of mutant 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with NADPH | | Descriptor: | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION | | Authors: | Henriksson, L.M, Unge, T, Jones, T.A, Mowbray, S.L. | | Deposit date: | 2007-01-04 | | Release date: | 2007-05-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 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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2JCX
 | | X-ray structure of mutant 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with fosmidomycin and NADPH | | Descriptor: | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Henriksson, L.M, Unge, T, Jones, T.A, Mowbray, S.L. | | Deposit date: | 2007-01-04 | | Release date: | 2007-05-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 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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1EG1
 | | ENDOGLUCANASE I FROM TRICHODERMA REESEI | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENDOGLUCANASE I | | Authors: | Kleywegt, G.J, Zou, J.-Y, Jones, T.A. | | Deposit date: | 1996-11-26 | | Release date: | 1997-08-20 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | The crystal structure of the catalytic core domain of endoglucanase I from Trichoderma reesei at 3.6 A resolution, and a comparison with related enzymes.
J.Mol.Biol., 272, 1997
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1HGW
 | | CEL6A D175A mutant | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE CEL6A (FORMERLY CALLED CBH II), COBALT (II) ION, ... | | Authors: | Zou, J.-Y, Jones, T.A. | | Deposit date: | 2000-12-15 | | Release date: | 2002-01-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Active Site of Cellobiohydrolase Cel6A from Trichoderma Reesei: The Roles of Aspartic Acids D221 and D175
J.Am.Chem.Soc., 124, 2002
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1GSD
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1GSE
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1HGY
 | | CEL6A D221A mutant | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE CEL6A (FORMERLY CALLED CBH II), alpha-D-glucopyranose, ... | | Authors: | Zou, J.-Y, Kleywegt, G.J, Jones, T.A. | | Deposit date: | 2000-12-15 | | Release date: | 2002-01-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Active Site of Cellobiohydrolase Cel6A from Trichoderma Reesei: The Roles of Aspartic Acids D221 and D175
J.Am.Chem.Soc., 124, 2002
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1CB2
 | | CELLOBIOHYDROLASE II, CATALYTIC DOMAIN, MUTANT Y169F | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE II, alpha-D-mannopyranose | | Authors: | Kleywegt, G.J, Szardenings, M, Jones, T.A. | | Deposit date: | 1995-11-25 | | Release date: | 1996-10-14 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The active site of Trichoderma reesei cellobiohydrolase II: the role of tyrosine 169.
Protein Eng., 9, 1996
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1CA2
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