3DER
 
 | | Crystal structure of dipeptide epimerase from Thermotoga maritima complexed with L-Ala-L-Lys dipeptide | | Descriptor: | ALANINE, LYSINE, MAGNESIUM ION, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Imker, H.J, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2008-06-10 | | Release date: | 2008-11-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of a dipeptide epimerase enzymatic function guided by homology modeling and virtual screening.
Structure, 16, 2008
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3VFC
 | | Crystal structure of enolase MSMEG_6132 (TARGET EFI-502282) from Mycobacterium smegmatis str. MC2 155 complexed with tartrate | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, L(+)-TARTARIC ACID, ... | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-01-09 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of enolase MSMEG_6132 from Mycobacterium smegmatis
To be Published
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3DEQ
 | | Crystal structure of dipeptide epimerase from Thermotoga maritima complexed with L-Ala-L-Leu dipeptide | | Descriptor: | ALANINE, LEUCINE, MAGNESIUM ION, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Imker, H.J, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2008-06-10 | | Release date: | 2008-11-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of a dipeptide epimerase enzymatic function guided by homology modeling and virtual screening.
Structure, 16, 2008
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3M43
 | | Crystal structure of the mutant I199A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum | | Descriptor: | GLYCEROL, Orotidine 5'-phosphate decarboxylase | | Authors: | Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2010-03-10 | | Release date: | 2010-06-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Conformational changes in orotidine 5'-monophosphate decarboxylase: "remote" residues that stabilize the active conformation.
Biochemistry, 49, 2010
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3M5Y
 | | Crystal structure of the mutant V182A,V201A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum | | Descriptor: | FORMIC ACID, GLYCEROL, Orotidine 5'-phosphate decarboxylase | | Authors: | Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2010-03-14 | | Release date: | 2010-06-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.455 Å) | | Cite: | Conformational changes in orotidine 5'-monophosphate decarboxylase: "remote" residues that stabilize the active conformation.
Biochemistry, 49, 2010
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1FHU
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1FHV
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5HQJ
 | | Crystal structure of ABC transporter Solute Binding Protein B1G1H7 from Burkholderia graminis C4D1M, target EFI-511179, in complex with D-arabinose | | Descriptor: | CHLORIDE ION, Periplasmic binding protein/LacI transcriptional regulator, alpha-D-arabinopyranose | | Authors: | Roth, Y, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2016-01-21 | | Release date: | 2016-03-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structure of ABC transporter Solute Binding Protein B1G1H7 from Burkholderia graminis C4D1M, target EFI-511179, in complex with D-arabinose
To be published
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5HFK
 | | CRYSTAL STRUCTURE OF A GLUTATHIONE S-TRANSFERASE PROTEIN FROM ESCHERICHIA COLI OCh 157:H7 STR. SAKAI (ECs3186, TARGET EFI-507414) WITH BOUND GLUTATHIONE | | Descriptor: | Disulfide-bond oxidoreductase YfcG, GLUTATHIONE | | Authors: | Himmel, D.M, Toro, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI), New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2016-01-07 | | Release date: | 2016-02-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.551 Å) | | Cite: | CRYSTAL STRUCTURE OF A GLUTATHIONE S-TRANSFERASE PROTEIN FROM ESCHERICHIA COLI OCh 157:H7 STR. SAKAI (ECs3186, TARGET EFI-507414) WITH BOUND GLUTATHIONE
TO BE PUBLISHED
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5IM2
 | | Crystal structure of a TRAP solute binding protein from Rhodoferax ferrireducens T118 (Rfer_2570, TARGET EFI-510210) in complex with copurified benzoate | | Descriptor: | BENZOIC ACID, Twin-arginine translocation pathway signal | | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2016-03-05 | | Release date: | 2016-03-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of a TRAP solute binding protein from Rhodoferax ferrireducens T118 (Rfer_2570, TARGET EFI-510210) in complex with copurified benzoate
To be published
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5IBQ
 | | Crystal structure of an ABC solute binding protein from Rhizobium etli CFN 42 (RHE_PF00037,TARGET EFI-511357) in complex with alpha-D-apiose | | Descriptor: | 3-C-(hydroxylmethyl)-alpha-D-erythrofuranose, CALCIUM ION, Probable ribose ABC transporter, ... | | Authors: | Vetting, M.W, Carter, M.S, Al Obaidi, N.F, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2016-02-22 | | Release date: | 2016-04-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal structure of an ABC solute binding protein from Rhizobium etli CFN 42 (RHE_PF00037,TARGET EFI-511357) in complex with alpha-D-apiose
To be published
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2DW7
 | | Crystal structure of D-tartrate dehydratase from Bradyrhizobium japonicum complexed with Mg++ and meso-tartrate | | Descriptor: | Bll6730 protein, MAGNESIUM ION, S,R MESO-TARTARIC ACID | | Authors: | Fedorov, A.A, Fedorov, E.V, Yew, W.S, Wood, B.M, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2006-08-07 | | Release date: | 2006-12-19 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Evolution of Enzymatic Activities in the Enolase Superfamily: d-Tartrate Dehydratase from Bradyrhizobium japonicum
Biochemistry, 45, 2006
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2FLI
 | | The crystal structure of D-ribulose 5-phosphate 3-epimerase from Streptococus pyogenes complexed with D-xylitol 5-phosphate | | Descriptor: | D-XYLITOL-5-PHOSPHATE, ZINC ION, ribulose-phosphate 3-epimerase | | Authors: | Fedorov, A.A, Fedorov, E.V, Akana, J, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2006-01-06 | | Release date: | 2006-03-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | d-Ribulose 5-Phosphate 3-Epimerase: Functional and Structural Relationships to Members of the Ribulose-Phosphate Binding (beta/alpha)(8)-Barrel Superfamily(,).
Biochemistry, 45, 2006
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2DW6
 | | Crystal structure of the mutant K184A of D-Tartrate Dehydratase from Bradyrhizobium japonicum complexed with Mg++ and D-tartrate | | Descriptor: | Bll6730 protein, D(-)-TARTARIC ACID, L(+)-TARTARIC ACID, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Yew, W.S, Wood, B.M, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2006-08-07 | | Release date: | 2006-12-19 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Evolution of Enzymatic Activities in the Enolase Superfamily: d-Tartrate Dehydratase from Bradyrhizobium japonicum
Biochemistry, 45, 2006
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3VE7
 | | Crystal structure of orotidine 5'-monophosphate decarboxylase from Metallosphaera sedula complexed with inhibitor BMP | | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, ACETIC ACID, Orotidine-5'-phosphate decarboxylase, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2012-01-07 | | Release date: | 2013-01-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.539 Å) | | Cite: | Crystal structure of orotidine 5'-monophosphate decarboxylase from Metallosphaera sedula complexed with inhibitor BMP
To be Published
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3V7P
 | | Crystal structure of amidohydrolase nis_0429 (target efi-500396) from Nitratiruptor sp. sb155-2 | | Descriptor: | Amidohydrolase family protein, BENZOIC ACID, BICARBONATE ION, ... | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Raushel, F.M, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2011-12-21 | | Release date: | 2012-01-11 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Crystal Structure of Amidohydrolase Nis_0429 (Target Efi-500319) from Nitratiruptor Sp. Sb155-2
To be Published
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1MDR
 | | THE ROLE OF LYSINE 166 IN THE MECHANISM OF MANDELATE RACEMASE FROM PSEUDOMONAS PUTIDA: MECHANISTIC AND CRYSTALLOGRAPHIC EVIDENCE FOR STEREOSPECIFIC ALKYLATION BY (R)-ALPHA-PHENYLGLYCIDATE | | Descriptor: | ATROLACTIC ACID (2-PHENYL-LACTIC ACID), MAGNESIUM ION, MANDELATE RACEMASE | | Authors: | Landro, J.A, Gerlt, J.A, Kozarich, J.W, Koo, C.W, Shah, V.J, Kenyon, G.L, Neidhart, D.J, Fujita, S, Petsko, G.A. | | Deposit date: | 1993-11-19 | | Release date: | 1994-08-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The role of lysine 166 in the mechanism of mandelate racemase from Pseudomonas putida: mechanistic and crystallographic evidence for stereospecific alkylation by (R)-alpha-phenylglycidate.
Biochemistry, 33, 1994
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1JCT
 | | Glucarate Dehydratase, N341L mutant Orthorhombic Form | | Descriptor: | D-GLUCARATE, Glucarate Dehydratase, ISOPROPYL ALCOHOL, ... | | Authors: | Gulick, A.M, Hubbard, B.K, Gerlt, J.A, Rayment, I. | | Deposit date: | 2001-06-11 | | Release date: | 2001-09-05 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Evolution of enzymatic activities in the enolase superfamily: identification of the general acid catalyst in the active site of D-glucarate dehydratase from Escherichia coli.
Biochemistry, 40, 2001
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1JDF
 | | Glucarate Dehydratase from E.coli N341D mutant | | Descriptor: | 2,3-DIHYDROXY-5-OXO-HEXANEDIOATE, Glucarate Dehydratase, ISOPROPYL ALCOHOL, ... | | Authors: | Gulick, A.M, Hubbard, B.K, Gerlt, J.A, Rayment, I. | | Deposit date: | 2001-06-13 | | Release date: | 2001-09-05 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Evolution of enzymatic activities in the enolase superfamily: identification of the general acid catalyst in the active site of D-glucarate dehydratase from Escherichia coli.
Biochemistry, 40, 2001
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1EC7
 | | E. COLI GLUCARATE DEHYDRATASE NATIVE ENZYME | | Descriptor: | GLUCARATE DEHYDRATASE, ISOPROPYL ALCOHOL, MAGNESIUM ION | | Authors: | Gulick, A.M, Hubbard, B.K, Gerlt, J.A, Rayment, I. | | Deposit date: | 2000-01-25 | | Release date: | 2000-05-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Evolution of enzymatic activities in the enolase superfamily: crystallographic and mutagenesis studies of the reaction catalyzed by D-glucarate dehydratase from Escherichia coli.
Biochemistry, 39, 2000
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1ECQ
 | | E. COLI GLUCARATE DEHYDRATASE BOUND TO 4-DEOXYGLUCARATE | | Descriptor: | 4-DEOXYGLUCARATE, GLUCARATE DEHYDRATASE, ISOPROPYL ALCOHOL, ... | | Authors: | Gulick, A.M, Hubbard, B.K, Gerlt, J.A, Rayment, I. | | Deposit date: | 2000-01-25 | | Release date: | 2000-05-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Evolution of enzymatic activities in the enolase superfamily: crystallographic and mutagenesis studies of the reaction catalyzed by D-glucarate dehydratase from Escherichia coli.
Biochemistry, 39, 2000
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1BQG
 | | THE STRUCTURE OF THE D-GLUCARATE DEHYDRATASE PROTEIN FROM PSEUDOMONAS PUTIDA | | Descriptor: | D-GLUCARATE DEHYDRATASE | | Authors: | Gulick, A.M, Palmer, D.R.J, Babbitt, P.C, Gerlt, J.A, Rayment, I. | | Deposit date: | 1998-08-15 | | Release date: | 1999-05-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Evolution of enzymatic activities in the enolase superfamily: crystal structure of (D)-glucarate dehydratase from Pseudomonas putida.
Biochemistry, 37, 1998
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1KW1
 | | Crystal Structure of 3-Keto-L-Gulonate 6-Phosphate Decarboxylase with bound L-gulonate 6-phosphate | | Descriptor: | 3-Keto-L-Gulonate 6-Phosphate Decarboxylase, L-GULURONIC ACID 6-PHOSPHATE, MAGNESIUM ION | | Authors: | Wise, E, Yew, W.S, Babbitt, P.C, Gerlt, J.A, Rayment, I. | | Deposit date: | 2002-01-28 | | Release date: | 2002-04-15 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Homologous (beta/alpha)8-barrel enzymes that catalyze unrelated reactions: orotidine 5'-monophosphate decarboxylase and 3-keto-L-gulonate 6-phosphate decarboxylase.
Biochemistry, 41, 2002
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1KV8
 | | Crystal Structure of 3-Keto-L-Gulonate 6-Phosphate Decarboxylase | | Descriptor: | 3-Keto-L-Gulonate 6-Phosphate Decarboxylase, MAGNESIUM ION, PHOSPHATE ION | | Authors: | Wise, E, Yew, W.S, Babbitt, P.C, Gerlt, J.A, Rayment, I. | | Deposit date: | 2002-01-25 | | Release date: | 2002-04-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Homologous (beta/alpha)8-barrel enzymes that catalyze unrelated reactions: orotidine 5'-monophosphate decarboxylase and 3-keto-L-gulonate 6-phosphate decarboxylase.
Biochemistry, 41, 2002
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3CT7
 | | Crystal structure of D-allulose 6-phosphate 3-epimerase from Escherichia Coli K-12 | | Descriptor: | D-allulose-6-phosphate 3-epimerase, MAGNESIUM ION, SULFATE ION | | Authors: | Fedorov, A.A, Fedorov, E.V, Chan, K.K, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2008-04-11 | | Release date: | 2008-08-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for substrate specificity in phosphate binding (beta/alpha)8-barrels: D-allulose 6-phosphate 3-epimerase from Escherichia coli K-12.
Biochemistry, 47, 2008
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