3QEZ
 
 | | Crystal structure of the mutant T159V,V182A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP | | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Orotidine 5'-phosphate decarboxylase | | Authors: | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2011-01-20 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5431 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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3GIP
 | | Crystal structure of N-acyl-D-Glutamate Deacylase from Bordetella Bronchiseptica complexed with zinc, acetate and formate ions. | | Descriptor: | ACETIC ACID, FORMIC ACID, N-acyl-D-glutamate deacylase, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Cummings, J, Raushel, F.M, Almo, S.C. | | Deposit date: | 2009-03-05 | | Release date: | 2009-09-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Annotating enzymes of uncertain function: the deacylation of D-amino acids by members of the amidohydrolase superfamily.
Biochemistry, 48, 2009
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3GIQ
 | | Crystal structure of N-acyl-D-Glutamate Deacylase from Bordetella Bronchiseptica complexed with zinc and phosphonate inhibitor, a mimic of the reaction tetrahedral intermediate. | | Descriptor: | N-[(R)-hydroxy(methyl)phosphoryl]-D-glutamic acid, N-acyl-D-glutamate deacylase, ZINC ION | | Authors: | Fedorov, A.A, Fedorov, E.V, Cummings, J, Raushel, F.M, Almo, S.C. | | Deposit date: | 2009-03-05 | | Release date: | 2009-09-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Annotating enzymes of uncertain function: the deacylation of D-amino acids by members of the amidohydrolase superfamily.
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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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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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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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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3FDK
 | | Crystal structure of hydrolase DR0930 with promiscuous catalytic activity | | Descriptor: | HYDROLASE DR0930, ZINC ION | | Authors: | Fedorov, A.A, Fedorov, L.V, Xiang, D.F, Raushel, F.M, Almo, S.C. | | Deposit date: | 2008-11-25 | | Release date: | 2009-06-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Functional annotation and three-dimensional structure of Dr0930 from Deinococcus radiodurans, a close relative of phosphotriesterase in the amidohydrolase superfamily.
Biochemistry, 48, 2009
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3FJ4
 | | 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, Sakai, A, Gerlt, J.A, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-12-14 | | Release date: | 2009-03-31 | | Last modified: | 2023-11-01 | | 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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3G1H
 | | Crystal structure of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 5,6-dihydrouridine 5'-monophosphate | | Descriptor: | 5,6-DIHYDROURIDINE-5'-MONOPHOSPHATE, Orotidine 5'-phosphate decarboxylase | | Authors: | Fedorov, A.A, Fedorov, E.V, Chan, K.K, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2009-01-29 | | Release date: | 2009-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization.
Biochemistry, 48, 2009
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3G1A
 | | Crystal structure of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 6-azauridine 5'-monophosphate | | Descriptor: | 6-AZA URIDINE 5'-MONOPHOSPHATE, Orotidine 5'-phosphate decarboxylase | | Authors: | Fedorov, A.A, Fedorov, E.V, Chan, K.K, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2009-01-29 | | Release date: | 2009-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization.
Biochemistry, 48, 2009
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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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3G1X
 | | Crystal structure of the mutant D70G of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with uridine 5'-monophosphate | | Descriptor: | CHLORIDE ION, Orotidine 5'-phosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE | | Authors: | Fedorov, A.A, Fedorov, E.V, Chan, K.K, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2009-01-30 | | Release date: | 2009-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization.
Biochemistry, 48, 2009
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3FYY
 | | Crystal structure of divergent enolase from Oceanobacillus iheyensis complexed with Mg | | 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: | 2009-01-23 | | Release date: | 2009-02-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Computation-facilitated assignment of the function in the enolase superfamily: a regiochemically distinct galactarate dehydratase from Oceanobacillus iheyensis .
Biochemistry, 48, 2009
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3G1D
 | | Crystal structure of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with uridine 5'-monophosphate | | Descriptor: | Orotidine 5'-phosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE | | Authors: | Fedorov, A.A, Fedorov, E.V, Chan, K.K, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2009-01-29 | | Release date: | 2009-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization.
Biochemistry, 48, 2009
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3G1S
 | | Crystal structure of the mutant D70G of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum | | Descriptor: | Orotidine 5'-phosphate decarboxylase | | Authors: | Fedorov, A.A, Fedorov, E.V, Chan, K.K, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2009-01-30 | | Release date: | 2009-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization.
Biochemistry, 48, 2009
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3G22
 | | Crystal structure of the mutant D70N of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with uridine 5'-monophosphate | | Descriptor: | Orotidine 5'-phosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE | | Authors: | Fedorov, A.A, Fedorov, E.V, Chan, K.K, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2009-01-30 | | Release date: | 2009-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization.
Biochemistry, 48, 2009
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3GDL
 | | Crystal structure of the orotidine 5'-monophosphate decarboxylase from Saccharomyces cerevisiae complexed with 6-azauridine 5'-monophosphate | | Descriptor: | 6-AZA URIDINE 5'-MONOPHOSPHATE, Orotidine 5'-phosphate decarboxylase | | Authors: | Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2009-02-24 | | Release date: | 2009-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization.
Biochemistry, 48, 2009
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3G1V
 | | Crystal structure of the mutant D70G of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 5-fluorouridine 5'-monophosphate | | Descriptor: | 5-FLUORO-URIDINE-5'-MONOPHOSPHATE, CHLORIDE ION, Orotidine 5'-phosphate decarboxylase | | Authors: | Fedorov, A.A, Fedorov, E.V, Chan, K.K, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2009-01-30 | | Release date: | 2009-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization.
Biochemistry, 48, 2009
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3G24
 | | Crystal structure of the mutant D70N of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 6-azauridine 5'-monophosphate | | Descriptor: | 6-AZA URIDINE 5'-MONOPHOSPHATE, Orotidine 5'-phosphate decarboxylase | | Authors: | Fedorov, A.A, Fedorov, E.V, Chan, K.K, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2009-01-30 | | Release date: | 2009-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization.
Biochemistry, 48, 2009
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3G18
 | | Crystal structure of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum | | Descriptor: | Orotidine 5'-phosphate decarboxylase | | Authors: | Fedorov, A.A, Fedorov, E.V, Chan, K.K, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2009-01-29 | | Release date: | 2009-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization.
Biochemistry, 48, 2009
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3GDR
 | | Crystal structure of the D91N mutant of the orotidine 5'-monophosphate decarboxylase from Saccharomyces cerevisiae | | Descriptor: | Orotidine 5'-phosphate decarboxylase | | Authors: | Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2009-02-24 | | Release date: | 2009-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization.
Biochemistry, 48, 2009
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