6AS5
 
 | | CRYSTAL STRUCTURE OF PROTEIN CitE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM, ACETOACETATE AND COENZYME A | | Descriptor: | ACETOACETIC ACID, COENZYME A, Citrate lyase subunit beta-like protein, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C. | | Deposit date: | 2017-08-23 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.035 Å) | | Cite: | An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism.
Proc.Natl.Acad.Sci.USA, 116, 2019
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1B8N
 | | PURINE NUCLEOSIDE PHOSPHORYLASE | | Descriptor: | 1,4-DIDEOXY-1,4-IMINO-1-(S)-(9-DEAZAGUANIN-9-YL)-D-RIBITOL, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Fedorov, A.A, Kicska, G.A, Fedorov, E.V, Strokopytov, B.V, Tyler, P.C, Furneaux, R.H, Schramm, V.L, Almo, S.C. | | Deposit date: | 1999-02-02 | | Release date: | 1999-02-08 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Atomic dissection of the hydrogen bond network for transition-state analogue binding to purine nucleoside phosphorylase
Biochemistry, 41, 2002
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3SJ3
 | | Crystal structure of the mutant R160A.Y206F 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: | 2011-06-20 | | Release date: | 2011-06-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme.
Biochemistry, 51, 2012
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3V1P
 | | Crystal structure of the mutant Q185A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP | | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine 5'-phosphate decarboxylase, SULFATE ION | | Authors: | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2011-12-09 | | Release date: | 2012-11-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme.
Biochemistry, 51, 2012
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2QJJ
 | | Crystal structure of D-Mannonate dehydratase from Novosphingobium aromaticivorans | | Descriptor: | MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme | | Authors: | Fedorov, A.A, Fedorov, E.V, Rakus, J.F, Vick, J.E, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2007-07-07 | | Release date: | 2007-10-30 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Evolution of enzymatic activities in the enolase superfamily: D-Mannonate dehydratase from Novosphingobium aromaticivorans.
Biochemistry, 46, 2007
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2QJM
 | | Crystal structure of the K271E mutant of Mannonate dehydratase from Novosphingobium aromaticivorans complexed with Mg and D-mannonate | | Descriptor: | D-MANNONIC ACID, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme | | Authors: | Fedorov, A.A, Fedorov, E.V, Rakus, J.F, Vick, J.E, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2007-07-08 | | Release date: | 2007-10-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Evolution of enzymatic activities in the enolase superfamily: D-Mannonate dehydratase from Novosphingobium aromaticivorans.
Biochemistry, 46, 2007
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2QJN
 | | Crystal structure of D-mannonate dehydratase from Novosphingobium aromaticivorans complexed with Mg and 2-keto-3-deoxy-D-gluconate | | Descriptor: | 2-KETO-3-DEOXYGLUCONATE, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme | | Authors: | Fedorov, A.A, Fedorov, E.V, Rakus, J.F, Vick, J.E, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2007-07-08 | | Release date: | 2007-10-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Evolution of enzymatic activities in the enolase superfamily: D-Mannonate dehydratase from Novosphingobium aromaticivorans.
Biochemistry, 46, 2007
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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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3CTL
 | | Crystal structure of D-Allulose 6-Phosphate 3-Epimerase from Escherichia coli K12 complexed with D-glucitol 6-phosphate and magnesium | | Descriptor: | D-SORBITOL-6-PHOSPHATE, D-allulose-6-phosphate 3-epimerase, MAGNESIUM ION | | Authors: | Fedorov, A.A, Fedorov, E.V, Chan, K.K, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2008-04-14 | | Release date: | 2009-02-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 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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3CAW
 | | Crystal structure of o-succinylbenzoate synthase from Bdellovibrio bacteriovorus liganded with Mg | | Descriptor: | MAGNESIUM ION, o-succinylbenzoate synthase | | Authors: | Fedorov, A.A, Fedorov, E.V, Sakai, A, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-02-20 | | Release date: | 2008-03-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family.
Proc.Natl.Acad.Sci.USA, 111, 2014
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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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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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3DES
 | | Crystal structure of dipeptide epimerase from Thermotoga maritima complexed with L-Ala-L-Phe dipeptide | | Descriptor: | ALANINE, MAGNESIUM ION, Muconate cycloisomerase, ... | | 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 (2.3 Å) | | Cite: | Discovery of a dipeptide epimerase enzymatic function guided by homology modeling and virtual screening.
Structure, 16, 2008
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3DG6
 | | Crystal structure of muconate lactonizing enzyme from Mucobacterium Smegmatis complexed with muconolactone | | Descriptor: | MAGNESIUM ION, Muconate cycloisomerase, [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid | | Authors: | Fedorov, A.A, Fedorov, E.V, Sakai, A, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2008-06-12 | | Release date: | 2009-03-03 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.6 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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3DG7
 | | Crystal structure of muconate lactonizing enzyme from Mucobacterium Smegmatis complexed with muconolactone | | Descriptor: | MAGNESIUM ION, Muconate cycloisomerase, [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid | | Authors: | Fedorov, A.A, Fedorov, E.V, Sakai, A, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2008-06-12 | | Release date: | 2009-03-03 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 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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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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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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3DGB
 | | Crystal structure of muconate lactonizing enzyme from Pseudomonas Fluorescens complexed with muconolactone | | Descriptor: | MAGNESIUM ION, Muconate cycloisomerase, [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid | | 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: | 2008-06-13 | | Release date: | 2009-03-03 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.7 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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3DG3
 | | Crystal structure of muconate lactonizing enzyme from Mucobacterium Smegmatis | | Descriptor: | MAGNESIUM ION, Muconate cycloisomerase | | Authors: | Fedorov, A.A, Fedorov, E.V, Sakai, A, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2008-06-12 | | Release date: | 2009-03-03 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.6 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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3DFY
 | | Crystal structure of apo dipeptide epimerase from Thermotoga maritima | | Descriptor: | MAGNESIUM ION, Muconate cycloisomerase | | Authors: | Fedorov, A.A, Fedorov, E.V, Imker, H.J, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2008-06-12 | | Release date: | 2008-11-25 | | Last modified: | 2023-08-30 | | 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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3DTC
 | | Crystal structure of mixed-lineage kinase MLK1 complexed with compound 16 | | Descriptor: | 12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one, Mitogen-activated protein kinase kinase kinase 9, SULFATE ION | | Authors: | Fedorov, A.A, Fedorov, E.V, Meyer, S.L, Hudkins, R.L, Almo, S.C. | | Deposit date: | 2008-07-14 | | Release date: | 2009-03-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Mixed-lineage kinase 1 and mixed-lineage kinase 3 subtype-selective dihydronaphthyl[3,4-a]pyrrolo[3,4-c]carbazole-5-ones: optimization, mixed-lineage kinase 1 crystallography, and oral in vivo activity in 1-methyl-4-phenyltetrahydropyridine models.
J.Med.Chem., 51, 2008
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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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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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1LH0
 | | Crystal Structure of Salmonella typhimurium OMP Synthase in Complex with MGPRPP and Orotate | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, MAGNESIUM ION, OMP synthase, ... | | Authors: | Fedorov, A.A, Panneerselvam, K, Shi, W, Grubmeyer, C, Almo, S.C. | | Deposit date: | 2002-04-16 | | Release date: | 2002-05-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of Salmonella typhimurium OMP Synthase in a Complete Substrate Complex.
Biochemistry, 51, 2012
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6CJ4
 | | CRYSTAL STRUCTURE OF PROTEIN CITE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM AND ACETOACETATE | | Descriptor: | ACETATE ION, ACETOACETIC ACID, Citrate lyase subunit beta-like protein, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C. | | Deposit date: | 2018-02-26 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism.
Proc.Natl.Acad.Sci.USA, 116, 2019
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