3KV8
 
 | | Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thioesterase FlK - Wild type FlK in complex with fluoro-acetate | | Descriptor: | Fluoroacetyl-CoA thioesterase FlK, fluoroacetic acid | | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | | Deposit date: | 2009-11-29 | | Release date: | 2010-04-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK.
J.Biol.Chem., 285, 2010
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3KX7
 | | Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA FlK - apo wild type FlK | | Descriptor: | Fluoroacetyl-CoA thioesterase FlK | | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | | Deposit date: | 2009-12-02 | | Release date: | 2010-04-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK.
J.Biol.Chem., 285, 2010
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1HYB
 | | CRYSTAL STRUCTURE OF AN ACTIVE SITE MUTANT OF METHANOBACTERIUM THERMOAUTOTROPHICUM NICOTINAMIDE MONONUCLEOTIDE ADENYLYLTRANSFERASE | | Descriptor: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, NICOTINAMIDE MONONUCLEOTIDE ADENYLYLTRANSFERASE, SULFATE ION | | Authors: | Saridakis, V, Christendat, D, Kimber, M.S, Edwards, A.M, Pai, E.F. | | Deposit date: | 2001-01-18 | | Release date: | 2001-03-14 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Insights into ligand binding and catalysis of a central step in NAD+ synthesis: structures of Methanobacterium thermoautotrophicum NMN adenylyltransferase complexes.
J.Biol.Chem., 276, 2001
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3KUV
 | | Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thioesterase FlK - T42S mutant in complex with acetate. | | Descriptor: | ACETATE ION, Fluoroacetyl coenzyme A thioesterase | | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | | Deposit date: | 2009-11-27 | | Release date: | 2010-04-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK.
J.Biol.Chem., 285, 2010
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3KX8
 | | Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thioesterase FlK | | Descriptor: | fluoroacetyl-CoA thioesterase | | Authors: | Chirgadze, D.Y, Dias, M.V.B, Huang, F, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | | Deposit date: | 2009-12-02 | | Release date: | 2010-04-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK.
J.Biol.Chem., 285, 2010
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3KUW
 | | Structural basis of the activity ans substrate specificity of the fluoroacetyl-CoA thioesterase FlK - T42S mutant in complex with Fluoro-acetate | | Descriptor: | Fluoroacetyl coenzyme A thioesterase, fluoroacetic acid | | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | | Deposit date: | 2009-11-27 | | Release date: | 2010-04-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK.
J.Biol.Chem., 285, 2010
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3KV7
 | | Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thioesterase FlK - wild type FlK in complex with acetate | | Descriptor: | ACETATE ION, fluoroacetyl-CoA thioesterase FlK | | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | | Deposit date: | 2009-11-29 | | Release date: | 2010-04-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK.
J.Biol.Chem., 285, 2010
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3KVU
 | | Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA FlK - T42S mutant in complex with Acetyl-CoA | | Descriptor: | ACETYL COENZYME *A, Fluoroacetyl-CoA thioesterase FlK | | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | | Deposit date: | 2009-11-30 | | Release date: | 2010-04-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK.
J.Biol.Chem., 285, 2010
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3SEC
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1BNO
 | | NMR SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF DNA POLYMERASE BETA, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | DNA POLYMERASE BETA | | Authors: | Liu, D.-J, Prasad, R, Wilson, S.H, Derose, E.F, Mullen, G.P. | | Deposit date: | 1996-04-25 | | Release date: | 1996-12-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional solution structure of the N-terminal domain of DNA polymerase beta and mapping of the ssDNA interaction interface.
Biochemistry, 35, 1996
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1BNP
 | | NMR SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF DNA POLYMERASE BETA, 55 STRUCTURES | | Descriptor: | DNA POLYMERASE BETA | | Authors: | Liu, D.-J, Prasad, R, Wilson, S.H, Derose, E.F, Mullen, G.P. | | Deposit date: | 1996-04-25 | | Release date: | 1996-12-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional solution structure of the N-terminal domain of DNA polymerase beta and mapping of the ssDNA interaction interface.
Biochemistry, 35, 1996
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1DIL
 | | SIALIDASE FROM SALMONELLA TYPHIMURIUM COMPLEXED WITH APANA AND EPANA INHIBITORS | | Descriptor: | (1R)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol, (1S)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol, POTASSIUM ION, ... | | Authors: | Garman, E.F, Crennell, S.C, Vimr, E.R, Laver, W.G, Taylor, G.L. | | Deposit date: | 1996-04-23 | | Release date: | 1996-12-07 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The structures of Salmonella typhimurium LT2 neuraminidase and its complexes with three inhibitors at high resolution.
J.Mol.Biol., 259, 1996
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1DIM
 | | SIALIDASE FROM SALMONELLA TYPHIMURIUM COMPLEXED WITH EPANA INHIBITOR | | Descriptor: | (1R)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol, POTASSIUM ION, SIALIDASE | | Authors: | Garman, E.F, Crennell, S.C, Vimr, E.R, Laver, W.G, Taylor, G.L. | | Deposit date: | 1996-04-23 | | Release date: | 1996-12-07 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The structures of Salmonella typhimurium LT2 neuraminidase and its complexes with three inhibitors at high resolution.
J.Mol.Biol., 259, 1996
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1DTH
 | | METALLOPROTEASE | | Descriptor: | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, ATROLYSIN C, CALCIUM ION, ... | | Authors: | Botos, I, Scapozza, L, Zhang, D, Liotta, L.A, Meyer, E.F. | | Deposit date: | 1996-02-12 | | Release date: | 1997-02-12 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Batimastat, a potent matrix mealloproteinase inhibitor, exhibits an unexpected mode of binding.
Proc.Natl.Acad.Sci.USA, 93, 1996
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1DT6
 | | STRUCTURE OF MAMMALIAN CYTOCHROME P450 2C5 | | Descriptor: | CYTOCHROME P450 2C5, PROTOPORPHYRIN IX CONTAINING FE, SAMARIUM (III) ION, ... | | Authors: | Williams, P.A, Cosme, J, Sridhar, V, Johnson, E.F, McRee, D.E. | | Deposit date: | 2000-01-11 | | Release date: | 2000-09-27 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Mammalian microsomal cytochrome P450 monooxygenase: structural adaptations for membrane binding and functional diversity.
Mol.Cell, 5, 2000
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1E2A
 | | ENZYME IIA FROM THE LACTOSE SPECIFIC PTS FROM LACTOCOCCUS LACTIS | | Descriptor: | ENZYME IIA, MAGNESIUM ION | | Authors: | Sliz, P, Engelmann, R, Hengstenberg, W, Pai, E.F. | | Deposit date: | 1997-04-25 | | Release date: | 1998-04-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The structure of enzyme IIAlactose from Lactococcus lactis reveals a new fold and points to possible interactions of a multicomponent system.
Structure, 5, 1997
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4X4C
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4XRY
 | | Human Cytochrome P450 2D6 BACE1 Inhibitor 5 Complex | | Descriptor: | (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1-methyl-1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Johnson, E.F, Fan, Y. | | Deposit date: | 2015-01-21 | | Release date: | 2015-05-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors.
J.Med.Chem., 58, 2015
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4XRZ
 | | Human Cytochrome P450 2D6 BACE1 Inhibitor 6 Complex | | Descriptor: | (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Cytochrome P450 2D6, GLYCEROL, ... | | Authors: | Johnson, E.F, Fan, Y. | | Deposit date: | 2015-01-21 | | Release date: | 2015-05-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors.
J.Med.Chem., 58, 2015
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4XZJ
 | | Crystal structure of ADP-ribosyltransferase Vis in complex with NAD | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative NAD(+)--arginine ADP-ribosyltransferase Vis | | Authors: | Pfoh, R, Ravulapalli, R, Merrill, A.R, Pai, E.F. | | Deposit date: | 2015-02-04 | | Release date: | 2015-09-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Characterization of Vis Toxin, a Novel ADP-Ribosyltransferase from Vibrio splendidus.
Biochemistry, 54, 2015
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4XZK
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4YTY
 | | Structure of rat xanthine oxidoreductase, C535A/C992R/C1324S, NADH bound form | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, BICARBONATE ION, CALCIUM ION, ... | | Authors: | Nishino, T, Okamoto, K, Kawaguchi, Y, Matsumura, T, Eger, B.T, Pai, E.F. | | Deposit date: | 2015-03-18 | | Release date: | 2015-04-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The C-terminal peptide plays a role in the formation of an intermediate form during the transition between xanthine dehydrogenase and xanthine oxidase.
Febs J., 282, 2015
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4YP5
 | | Crystal structure of Methanobacterium thermoautotrophicum NMNAT in complex with NADP | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Nicotinamide-nucleotide adenylyltransferase | | Authors: | Pfoh, R, Christendat, D, Pai, E.F, Saridakis, V. | | Deposit date: | 2015-03-12 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Nicotinamide mononucleotide adenylyltransferase displays alternate binding modes for nicotinamide nucleotides.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
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4WNU
 | | Human Cytochrome P450 2D6 Quinidine Complex | | Descriptor: | Cytochrome P450 2D6, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Wang, A, Stout, C.D, Johnson, E.F. | | Deposit date: | 2014-10-14 | | Release date: | 2015-01-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
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4YSW
 | | Structure of rat xanthine oxidoreductase, C-terminal deletion protein variant, NADH bound form | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, BICARBONATE ION, CALCIUM ION, ... | | Authors: | Nishino, T, Okamoto, K, Kawaguchi, Y, Matsumura, T, Eger, B.T, Pai, E.F. | | Deposit date: | 2015-03-17 | | Release date: | 2015-04-22 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | The C-terminal peptide plays a role in the formation of an intermediate form during the transition between xanthine dehydrogenase and xanthine oxidase.
Febs J., 282, 2015
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