3URN
 
 | | Crystal Structure of PTE mutant H254G/H257W/L303T/K185R/I274N/A80V/S61T with cyclohexyl methylphosphonate inhibitor | | Descriptor: | COBALT (II) ION, IMIDAZOLE, Parathion hydrolase, ... | | Authors: | Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M. | | Deposit date: | 2011-11-22 | | Release date: | 2012-08-01 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents.
Biochemistry, 51, 2012
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3R0D
 | | Crystal structure of Cytosine Deaminase from Escherichia Coli complexed with two zinc atoms in the active site | | Descriptor: | (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol, Cytosine deaminase, GLYCEROL, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Kamat, S, Hitchcock, D, Raushel, F.M, Almo, S.C. | | Deposit date: | 2011-03-07 | | Release date: | 2012-03-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.501 Å) | | Cite: | Crystal structure of Cytosine Deaminase from Escherichia Coli complexed with two zinc atoms in the active site
To be Published
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3RN6
 | | Crystal structure of Cytosine Deaminase from Escherichia Coli complexed with zinc and isoguanine | | Descriptor: | (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol, 6-amino-3,7-dihydro-2H-purin-2-one, Cytosine deaminase, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Hitchcock, D.S, Raushel, F.M, Almo, S.C. | | Deposit date: | 2011-04-22 | | Release date: | 2011-08-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.255 Å) | | Cite: | Rescue of the orphan enzyme isoguanine deaminase.
Biochemistry, 50, 2011
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3S2L
 | | Crystal structure of dipeptidase from Streptomyces coelicolor complexed with phosphinate pseudodipeptide L-Leu-D-Glu | | Descriptor: | (2R)-2-{[(S)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]methyl}pentanedioic acid, 1,2-ETHANEDIOL, ZINC ION, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Cummings, J, Raushel, F.M, Almo, S.C. | | Deposit date: | 2011-05-16 | | Release date: | 2011-06-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.399 Å) | | Cite: | Crystal structure of dipeptidase from Streptomyces coelicolor complexed with phosphinate pseudodipeptide L-Leu-D-Glu
To be Published
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3RYS
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3S2J
 | | Crystal structure of dipeptidase from Streptomyces coelicolor complexed with phosphinate pseudodipeptide L-Leu-D-Ala | | Descriptor: | (2R)-3-[(R)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]-2-methylpropanoic acid, 1,2-ETHANEDIOL, ZINC ION, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Cummings, J, Raushel, F.M, Almo, S.C. | | Deposit date: | 2011-05-16 | | Release date: | 2011-06-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.297 Å) | | Cite: | Crystal structure of dipeptidase from Streptomyces coelicolor complexed with phosphinate pseudodipeptide L-Leu-D-Ala
To be Published
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4M51
 | | Crystal structure of amidohydrolase nis_0429 (ser145ala mutant) from nitratiruptor sp. sb155-2 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Amidohydrolase family protein, BENZOIC ACID, ... | | Authors: | Patskovsky, Y, Toro, R, Gobble, A, Raushel, F.M, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-08-07 | | Release date: | 2013-09-04 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Deamination of 6-aminodeoxyfutalosine in menaquinone biosynthesis by distantly related enzymes.
Biochemistry, 52, 2013
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3S2N
 | | Crystal structure of dipeptidase from Streptomyces coelicolor complexed with phosphinate pseudodipeptide L-Tyr-D-Asp | | Descriptor: | (2R)-2-{[(S)-[(1R)-1-amino-2-(4-hydroxyphenyl)ethyl](hydroxy)phosphoryl]methyl}butanedioic acid, 1,2-ETHANEDIOL, ZINC ION, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Cummings, J, Raushel, F.M, Almo, S.C. | | Deposit date: | 2011-05-16 | | Release date: | 2011-06-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of dipeptidase from Streptomyces coelicolor complexed with phosphinate pseudodipeptide L-Tyr-D-Asp
To be Published
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4QRN
 | | HIGH-RESOLUTION CRYSTAL STRUCTURE of 5-CARBOXYVANILLATE DECARBOXYLASE (TARGET EFI-505250) FROM NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 COMPLEXED WITH MANGANESE AND 4-HYDROXY-3-METHOXY-5-NITROBENZOIC ACID | | Descriptor: | 4-hydroxy-3-methoxy-5-nitrobenzoic acid, 5-Carboxyvanillate Decarboxylase, ACETATE ION, ... | | Authors: | Patskovsky, Y, Vladimirova, A, Toro, R, Bhosle, R, Gerlt, J.A, Raushel, F.M, Almo, S.C. | | Deposit date: | 2014-07-01 | | Release date: | 2014-08-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Crystal Structure of 5-Carboxyvanillate Decarboxylase from Novosphingobium Aromaticivorans
To be Published
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3S2M
 | | Crystal structure of dipeptidase from Streptomyces coelicolor complexed with phosphinate pseudodipeptide L-Phe-D-Asp | | Descriptor: | (2R)-2-{[(S)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]methyl}butanedioic acid, 1,2-ETHANEDIOL, ZINC ION, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Cummings, J, Raushel, F.M, Almo, S.C. | | Deposit date: | 2011-05-16 | | Release date: | 2011-06-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.399 Å) | | Cite: | Crystal structure of dipeptidase from Streptomyces coelicolor complexed with phosphinate pseudodipeptide L-Phe-D-Asp
To be Published
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4RDV
 | | The structure of N-formimino-L-Glutamate Iminohydrolase from Pseudomonas aeruginosa complexed with N-formimino-L-Aspartate | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, N-FORMIMINO-L-GLUTAMATE IMINOHYDROLASE, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Marti-Arbona, R, Raushel, F.M, Almo, S.C. | | Deposit date: | 2014-09-19 | | Release date: | 2014-10-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | The structure of N-formimino-L-Glutamate Iminohydrolase from Pseudomonas aeruginosa complexed with N-formimino-L-Aspartate
To be Published
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3RHG
 | | Crystal structure of amidohydrolase pmi1525 (target efi-500319) from proteus mirabilis hi4320 | | Descriptor: | BENZOIC ACID, CACODYLATE ION, Putative phophotriesterase, ... | | Authors: | Patskovsky, Y, Hillerich, B, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Raushel, F.M, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2011-04-11 | | Release date: | 2011-04-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Crystal Structure of Amidohydrolase Pmi1525 from Proteus Mirabilis Hi4320
To be Published
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4J5N
 | | Crystal Structure of a Deinococcus radiodurans PTE-like lactonase (drPLL) mutant Y28L/D71N/E101G/E179D/V235L/L270M | | Descriptor: | COBALT (II) ION, Phosphotriesterase, putative | | Authors: | Meier, M.M, Rajendran, C, Malisi, C, Fox, N.G, Xu, C, Schlee, S, Barondeau, D.P, Hocker, B, Sterner, R, Raushel, F.M. | | Deposit date: | 2013-02-08 | | Release date: | 2013-07-24 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Molecular engineering of organophosphate hydrolysis activity from a weak promiscuous lactonase template.
J.Am.Chem.Soc., 135, 2013
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4QS6
 | | CRYSTAL STRUCTURE of 5-CARBOXYVANILLATE DECARBOXYLASE LIGW2 FROM NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 (TARGET EFI-505250) WITH BOUND 4-HYDROXY-3-METHOXY-5-NITROBENZOIC ACID, NO METAL, THE D314N MUTANT | | Descriptor: | 4-hydroxy-3-methoxy-5-nitrobenzoic acid, CHLORIDE ION, GLYCEROL, ... | | Authors: | Patskovsky, Y, Vladimirova, A, Toro, R, Bhosle, R, Gerlt, J.A, Raushel, F.M, Almo, S.C. | | Deposit date: | 2014-07-03 | | Release date: | 2014-08-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Crystal Structure of Ligw2 Decarboxylase from Novosphingobium Aromaticivorans
To be Published
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3HK9
 | | Crystal structure of uronate isomerase from Bacillus halodurans complexed with zinc and D-Glucuronate | | Descriptor: | CARBONATE ION, CHLORIDE ION, D-glucuronic acid, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Nguyen, T.T, Raushel, F.M, Almo, S.C. | | Deposit date: | 2009-05-22 | | Release date: | 2009-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The mechanism of the reaction catalyzed by uronate isomerase illustrates how an isomerase may have evolved from a hydrolase within the amidohydrolase superfamily.
Biochemistry, 48, 2009
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1M6V
 | | Crystal Structure of the G359F (small subunit) Point Mutant of Carbamoyl Phosphate Synthetase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, L-ornithine, ... | | Authors: | Thoden, J.B, Huang, X, Raushel, F.M, Holden, H.M. | | Deposit date: | 2002-07-17 | | Release date: | 2002-07-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Carbamoyl-phosphate synthetase. Creation of an escape route for ammonia
J.Biol.Chem., 277, 2002
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1P6B
 | | X-ray structure of phosphotriesterase, triple mutant H254G/H257W/L303T | | Descriptor: | DIETHYL 4-METHYLBENZYLPHOSPHONATE, ETHYL DIHYDROGEN PHOSPHATE, Parathion hydrolase, ... | | Authors: | Hill, C.M, Li, W, Thoden, J.B, Holden, H.M, Raushel, F.M. | | Deposit date: | 2003-04-29 | | Release date: | 2003-09-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Enhanced degradation of chemical warfare agents through molecular engineering of the phosphotriesterase active site.
J.Am.Chem.Soc., 125, 2003
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1ONX
 | | Crystal structure of isoaspartyl dipeptidase from escherichia coli complexed with aspartate | | Descriptor: | ASPARTIC ACID, Isoaspartyl dipeptidase, ZINC ION | | Authors: | Thoden, J.B, Marti-Arbona, R, Raushel, F.M, Holden, H.M. | | Deposit date: | 2003-03-02 | | Release date: | 2003-05-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | High Resolution X-ray Structure of Isoaspartyl
Dipeptidase from Escherichia coli
Biochemistry, 42, 2003
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3HPA
 | | Crystal structure of an amidohydrolase gi:44264246 from an evironmental sample of sargasso sea | | Descriptor: | AMIDOHYDROLASE, ZINC ION | | Authors: | Fedorov, A.A, Fedorov, E.V, Toro, R, Raushel, F.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-06-03 | | Release date: | 2009-06-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The hunt for 8-oxoguanine deaminase.
J.Am.Chem.Soc., 132, 2010
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3HM7
 | | Crystal structure of allantoinase from Bacillus halodurans C-125 | | Descriptor: | Allantoinase, ZINC ION | | Authors: | Patskovsky, Y, Romero, R, Rutter, M, Miller, S, Wasserman, S.R, Sauder, J.M, Raushel, F.M, Burley, S.K, Almo, S.C, New York Structural GenomiX Research Consortium (NYSGXRC), New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-05-28 | | Release date: | 2009-06-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of Allantoinase from Bacillus Halodurans
To be Published
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1P6C
 | | crystal structure of phosphotriesterase triple mutant H254G/H257W/L303T complexed with diisopropylmethylphosphonate | | Descriptor: | DIETHYL 4-METHYLBENZYLPHOSPHONATE, METHYLPHOSPHONIC ACID DIISOPROPYL ESTER, Parathion hydrolase, ... | | Authors: | Hill, C.M, Li, W, Thoden, J.B, Holden, H.M, Raushel, F.M. | | Deposit date: | 2003-04-29 | | Release date: | 2003-09-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Enhanced degradation of chemical warfare agents through molecular engineering of the phosphotriesterase active site.
J.Am.Chem.Soc., 125, 2003
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4DLF
 | | Crystal structure of an amidohydrolase (COG3618) from burkholderia multivorans (TARGET EFI-500235) with bound ZN, space group P3221 | | Descriptor: | Amidohydrolase 2, GLYCEROL, UNKNOWN ATOM OR ION, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Seidel, R.D, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Al Obaidi, N.F, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Raushel, F.M, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-02-06 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.925 Å) | | Cite: | Crystal structure of an amidohydrolase (COG3618) from burkholderia multivorans (target efi-500235) with bound ZN, space group P3221
to be published
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4DNM
 | | Crystal structure of an amidohydrolase (cog3618) from burkholderia multivorans (target efi-500235) with bound hepes, space group p3221 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Amidohydrolase 2, GLYCEROL, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Seidel, R.D, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Al Obaidi, N.F, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Raushel, F.M, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-02-08 | | Release date: | 2012-02-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structure of an amidohydrolase (cog3618) from burkholderia multivorans (target efi-500235) with bound hepes, space group p3221
to be published
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3HK7
 | | Crystal structure of uronate isomerase from Bacillus halodurans complexed with zinc and D-Arabinarate, monoclinic crystal form | | Descriptor: | CARBONATE ION, CHLORIDE ION, D-arabinaric acid, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Nguyen, T.T, Raushel, F.M, Almo, S.C. | | Deposit date: | 2009-05-22 | | Release date: | 2009-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The mechanism of the reaction catalyzed by uronate isomerase illustrates how an isomerase may have evolved from a hydrolase within the amidohydrolase superfamily.
Biochemistry, 48, 2009
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1ONW
 | | Crystal structure of Isoaspartyl Dipeptidase from E. coli | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Isoaspartyl dipeptidase, ... | | Authors: | Thoden, J.B, Marti-Arbona, R, Raushel, F.M, Holden, H.M. | | Deposit date: | 2003-03-02 | | Release date: | 2003-05-06 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | High Resolution X-ray Structure of
Isoaspartyl Dipeptidase from
Escherichia coli
Biochemistry, 42, 2003
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