6CHK
 
 | | Crystal structure of LacI family transcriptional regulator from Lactobacillus casei, Target EFI-512911, with bound TRIS | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, SODIUM ION, ... | | Authors: | Patskovsky, Y, Toro, R, Shabalin, I.G, Kowiel, M, Porebski, P.J, Minor, W, Jaskolski, M, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative, E.F.I. | | Deposit date: | 2018-02-22 | | Release date: | 2018-03-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Automatic recognition of ligands in electron density by machine learning.
Bioinformatics, 35, 2019
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2YBD
 | | Crystal structure of probable had family hydrolase from pseudomonas fluorescens pf-5 with bound phosphate | | Descriptor: | HYDROLASE, HALOACID DEHALOGENASE-LIKE FAMILY, MAGNESIUM ION, ... | | Authors: | Vetting, M.W, Patskovsky, Y, Toro, R, Freeman, J, Miller, S, Sauder, J.M, Burley, S.K, Dunaway-Mariano, D, Allen, K.N, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2011-03-03 | | Release date: | 2011-03-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Crystal Structure of Probable Had Family Hydrolase from Pseudomonas Fluorescens Pf-5 with Bound Phosphate
To be Published
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3BOX
 | | Crystal structure of L-rhamnonate dehydratase from Salmonella typhimurium complexed with Mg | | Descriptor: | L-rhamnonate dehydratase, MAGNESIUM ION | | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-12-18 | | Release date: | 2008-01-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Evolution of enzymatic activities in the enolase superfamily: L-rhamnonate dehydratase.
Biochemistry, 47, 2008
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3CB3
 | | Crystal structure of L-Talarate dehydratase from Polaromonas sp. JS666 complexed with Mg and L-glucarate | | Descriptor: | L-GLUCARIC ACID, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme | | Authors: | Fedorov, A.A, Fedorov, E.V, Yew, W.S, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-02-21 | | Release date: | 2008-03-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of L-Talarate dehydratase from Polaromonas sp. JS666 complexed with Mg and L-glucarate.
To be Published
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3CT2
 | | Crystal structure of muconate cycloisomerase from Pseudomonas fluorescens | | Descriptor: | MAGNESIUM ION, Muconate cycloisomerase | | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-04-11 | | Release date: | 2008-04-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Evolution of enzymatic activities in the enolase superfamily: stereochemically distinct mechanisms in two families of cis,cis-muconate lactonizing enzymes.
Biochemistry, 48, 2009
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3D47
 | | Crystal structure of L-rhamnonate dehydratase from Salmonella typhimurium complexed with Mg and D-malate | | Descriptor: | D-MALATE, MAGNESIUM ION, Putative galactonate dehydratase | | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-05-14 | | Release date: | 2008-06-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of L-rhamnonate dehydratase from Salmonella typhimurium complexed with Mg and D-malate.
To be Published
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3CXO
 | | Crystal structure of L-rhamnonate dehydratase from Salmonella typhimurium complexed with Mg and 3-deoxy-L-rhamnonate | | Descriptor: | (2R,4S)-2,4,7-trihydroxyheptanoic acid, 3,6-dideoxy-L-arabino-hexonic acid, MAGNESIUM ION, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Rakus, J.F, Hubbard, B.K, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2008-04-24 | | Release date: | 2008-09-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Evolution of enzymatic activities in the enolase superfamily: L-rhamnonate dehydratase.
Biochemistry, 47, 2008
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3D46
 | | Crystal structure of L-rhamnonate dehydratase from Salmonella typhimurium complexed with Mg and L-tartrate | | Descriptor: | L(+)-TARTARIC ACID, MAGNESIUM ION, Putative galactonate dehydratase | | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-05-14 | | Release date: | 2008-06-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of L-rhamnonate dehydratase from Salmonella typhimurium complexed with Mg and L-tartrate.
To be Published
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1JPM
 | | L-Ala-D/L-Glu Epimerase | | Descriptor: | GLYCEROL, L-Ala-D/L-Glu Epimerase, MAGNESIUM ION | | Authors: | Gulick, A.M, Schmidt, D.M.Z, Gerlt, J.A, Rayment, I. | | Deposit date: | 2001-08-02 | | Release date: | 2001-12-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Evolution of enzymatic activities in the enolase superfamily: crystal structures of the L-Ala-D/L-Glu epimerases from Escherichia coli and Bacillus subtilis.
Biochemistry, 40, 2001
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1JPD
 | | L-Ala-D/L-Glu Epimerase | | Descriptor: | L-Ala-D/L-Glu Epimerase | | Authors: | Gulick, A.M, Schmidt, D.M.Z, Gerlt, J.A, Rayment, I. | | Deposit date: | 2001-08-01 | | Release date: | 2001-12-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Evolution of enzymatic activities in the enolase superfamily: crystal structures of the L-Ala-D/L-Glu epimerases from Escherichia coli and Bacillus subtilis.
Biochemistry, 40, 2001
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2VWS
 | | Crystal structure of YfaU, a metal ion dependent class II aldolase from Escherichia coli K12 | | Descriptor: | GLYCEROL, PHOSPHATE ION, YFAU, ... | | Authors: | Rea, D, Rakus, J.F, Gerlt, J.A, Fulop, V, Bugg, T.D.H, Roper, D.I. | | Deposit date: | 2008-06-26 | | Release date: | 2008-09-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Crystal Structure and Functional Assignment of Yfau, a Metal Ion Dependent Class II Aldolase from Escherichia Coli K12.
Biochemistry, 47, 2008
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2VWT
 | | Crystal structure of YfaU, a metal ion dependent class II aldolase from Escherichia coli K12 - Mg-pyruvate product complex | | Descriptor: | GLYCEROL, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Rea, D, Rakus, J.F, Gerlt, J.A, Fulop, V, Bugg, T.D.H, Roper, D.I. | | Deposit date: | 2008-06-26 | | Release date: | 2008-09-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal Structure and Functional Assignment of Yfau, a Metal Ion Dependent Class II Aldolase from Escherichia Coli K12.
Biochemistry, 47, 2008
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2RDX
 | | Crystal structure of mandelate racemase/muconate lactonizing enzyme from Roseovarius nubinhibens ISM | | Descriptor: | GLYCEROL, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme, ... | | Authors: | Patskovsky, Y, Bonanno, J, Sauder, J.M, Ozyurt, S, Gilmore, M, Lau, C, Maletic, M, Gheyi, T, Wasserman, S.R, Koss, J, Gerlt, J.A, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-09-25 | | Release date: | 2007-10-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of mandelate racemase/muconate lactonizing enzyme from Roseovarius nubinhibens ISM.
To be Published
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4LUI
 | | Crystal structure of Orotidine 5'-monophosphate decarboxylase from methanocaldococcus jannaschii | | Descriptor: | CHLORIDE ION, Orotidine 5'-phosphate decarboxylase | | Authors: | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2013-07-25 | | Release date: | 2013-08-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of Orotidine 5'-monophosphate decarboxylase from methanocaldococcus jannaschii
To be Published
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4MCO
 | | Crystal structure of a TRAP periplasmic solute binding protein from Rhodoferax ferrireducens (Rfer_1840), target EFI-510211, with bound malonate | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MALONATE ION, TRAP dicarboxylate transporter-DctP subunit | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Zhao, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-08-21 | | Release date: | 2013-09-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
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4MEV
 | | Crystal structure of a TRAP periplasmic solute binding protein from Rhodoferax ferrireducens (Rfer_1840), Target EFI-510211, with bound malonate, space group I422 | | Descriptor: | CITRIC ACID, MALONATE ION, TRAP dicarboxylate transporter-DctP subunit | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Zhao, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-08-27 | | Release date: | 2013-09-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
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4LW7
 | | Crystal structure of the mutant H128S of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP | | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine 5'-phosphate decarboxylase | | Authors: | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2013-07-26 | | Release date: | 2014-07-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.423 Å) | | Cite: | Crystal structure of the mutant H128S of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP
To be Published
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4MF5
 | | Crystal structure of glutathione transferase BgramDRAFT_1843 from Burkholderia graminis, Target EFI-507289, with traces of one GSH bound | | Descriptor: | FORMIC ACID, GLUTATHIONE, Glutathione S-transferase domain | | Authors: | Patskovsky, Y, Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-08-27 | | Release date: | 2013-09-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.11 Å) | | Cite: | Crystal structure of glutathione transferase BgramDRAFT_1843 from Burkholderia graminis, Target EFI-507289, with traces of one GSH bound
To be Published
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4MP4
 | | Crystal structure of a glutathione transferase family member from Acinetobacter baumannii, Target EFI-501785, apo structure | | Descriptor: | Glutathione S-transferase, SULFATE ION | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-09-12 | | Release date: | 2013-10-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.498 Å) | | Cite: | Crystal structure of a glutathione transferase family member from Acinetobacter baumannii, Target EFI-501785, apo structure
To be Published
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4MK3
 | | Crystal structure of a glutathione transferase family member from Cupriavidus metallidurans CH34, target EFI-507362, with bound glutathione sulfinic acid (gso2h) | | Descriptor: | Glutathione S-transferase, L-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINE, MAGNESIUM ION, ... | | Authors: | Toro, R, Bhosle, R, Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-09-04 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.501 Å) | | Cite: | Crystal structure of a glutathione transferase family member from Cupriavidus metallidurans CH34, target EFI-507362, with bound glutathione sulfinic acid (gso2h)
To be published
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4MNC
 | | Crystal structure of a TRAP periplasmic solute binding protein from Polaromonas sp. JS666 (Bpro_4736), Target EFI-510156, with bound benzoyl formate, space group P21 | | Descriptor: | BENZOYL-FORMIC ACID, SULFATE ION, TRAP dicarboxylate transporter-DctP subunit | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Zhao, S, Stead, M, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-09-10 | | Release date: | 2013-09-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
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4NT0
 | | Crystal structure of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 3-deazauridine 5'-monophosphate | | Descriptor: | 4-hydroxy-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridin-2(1H)-one, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Iiams, V, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2013-11-29 | | Release date: | 2013-12-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.769 Å) | | Cite: | Crystal structure of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 3-deazauridine 5'-monophosphate
To be Published
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4LC6
 | | Crystal structure of the mutant H128Q of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP | | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, CHLORIDE ION, Orotidine 5'-phosphate decarboxylase, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2013-06-21 | | Release date: | 2013-07-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Crystal structure of the mutant H128Q of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP
To be Published
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4LN5
 | | Crystal structure of a trap periplasmic solute binding protein from burkholderia ambifaria (Bamb_6123), TARGET EFI-510059, with bound glycerol and chloride ion | | Descriptor: | CHLORIDE ION, GLYCEROL, TRAP dicarboxylate transporter, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-07-11 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
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4LOB
 | | Crystal structure of polyprenyl diphosphate synthase A1S_2732 (Target EFI-509223) from Acinetobacter baumannii | | Descriptor: | CHLORIDE ION, GLYCEROL, Polyprenyl synthetase | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-07-12 | | Release date: | 2013-07-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of polyprenyl diphosphate synthase from Acinetobacter baumannii
To be Published
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