6OZ1
 
 | | Crystal structure of the adenylation (A) domain of the carboxylate reductase (CAR) GR01_22995 from Mycobacterium chelonae | | Descriptor: | ADENOSINE MONOPHOSPHATE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Stogios, P.J, Evdokimova, E, Di Leo, R, Fedorchuk, T, Khusnutdinova, A, Yakunin, A.F, Savchenko, A. | | Deposit date: | 2019-05-15 | | Release date: | 2020-04-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | One-Pot Biocatalytic Transformation of Adipic Acid to 6-Aminocaproic Acid and 1,6-Hexamethylenediamine Using Carboxylic Acid Reductases and Transaminases.
J.Am.Chem.Soc., 142, 2020
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5IBZ
 | | Crystal structure of a novel cyclase (pfam04199). | | Descriptor: | ACETYLPHOSPHATE, TRIETHYLENE GLYCOL, Uncharacterized protein | | Authors: | Nocek, B, Skarina, T, Brown, G, Joachimiak, A, Savchenko, A, Yakunin, A. | | Deposit date: | 2016-02-22 | | Release date: | 2017-08-09 | | Method: | X-RAY DIFFRACTION (1.611 Å) | | Cite: | Crystal structure of a novel cyclase (pfam04199).
To Be Published
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5T79
 | | X-Ray Crystal Structure of a Novel Aldo-keto Reductases for the Biocatalytic Conversion of 3-hydroxybutanal to 1,3-butanediol | | Descriptor: | Aldo-keto Reductase, OXIDOREDUCTASE, CHLORIDE ION, ... | | Authors: | Brunzelle, J.S, Wawrzak, Z, Evdokimova, E, Kudritska, M, Savchenko, A, Yakunin, A.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-09-02 | | Release date: | 2017-02-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structural and biochemical studies of novel aldo-keto reductases for the biocatalytic conversion of 3-hydroxybutanal to 1,3-butanediol.
Appl. Environ. Microbiol., 2017
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6D33
 | | Crystal structure of BH1352 2-deoxyribose-5-phosphate from Bacillus halodurans | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyribose-phosphate aldolase, GLYCEROL | | Authors: | Stogios, P.J, Skarina, T, Kim, T, Yim, V, Yakunin, A, Savchenko, A. | | Deposit date: | 2018-04-14 | | Release date: | 2019-10-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | Rational engineering of 2-deoxyribose-5-phosphate aldolases for the biosynthesis of (R)-1,3-butanediol.
J.Biol.Chem., 295, 2020
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4ZXU
 | | 2.85 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) H448F/P449M double mutant from Staphylococcus aureus in complex with NAD+ and BME-free Cys289 | | Descriptor: | Betaine-aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | | Authors: | Halavaty, A.S, Minasov, G, Chen, C, Joo, J.C, Yakunin, A.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2015-05-20 | | Release date: | 2015-06-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | 2.85 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) H448F/P449M double mutant from Staphylococcus aureus in complex with NAD+ and BME-free Cys289.
To be Published
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6XI5
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6XI4
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7S8K
 | | Crystal structure of a GH12-2 family cellulase from Thermococcus sp. 2319x1 | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Stogios, P.J, Skarina, T, Khusnutdinova, A, Yakunin, A.F, Savchenko, A. | | Deposit date: | 2021-09-18 | | Release date: | 2022-08-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | GH12-2 family cellulase
To Be Published
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7SPN
 | | Crystal structure of IS11, a thermophilic esterase | | Descriptor: | IS11 | | Authors: | Stogios, P.J, Evdokimova, E, Khusnutdinova, A, Yakunin, A.F, Savchenko, A. | | Deposit date: | 2021-11-02 | | Release date: | 2022-08-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | Crystal structure of IS11, a thermophilic esterase
To Be Published
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4ZWL
 | | 2.60 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) H448F/Y450L double mutant from Staphylococcus aureus in complex with NAD+ and BME-free Cys289 | | Descriptor: | Betaine-aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | | Authors: | Halavaty, A.S, Minasov, G, Chen, C, Joo, J.C, Yakunin, A.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2015-05-19 | | Release date: | 2015-05-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | 2.60 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) H448F/Y450L double mutant from Staphylococcus aureus in complex with NAD+ and BME-free Cys289
To be Published
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5DIB
 | | 2.25 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) Y450L point mutant from Staphylococcus aureus in complex with NAD+ and BME-modified Cys289 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Betaine aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Halavaty, A.S, Minasov, G, Chen, C, Joo, J.C, Yakunin, A.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2015-08-31 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | 2.25 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) Y450L point mutant from Staphylococcus aureus in complex with NAD+ and BME-modified Cys289
To Be Published
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5EZ4
 | | 2.11 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) P449M/Y450L double mutant from Staphylococcus aureus in complex with NAD+ and BME-modified Cys289 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Betaine aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Halavaty, A.S, Minasov, G, Chen, C, Joo, J.C, Yakunin, A.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2015-11-26 | | Release date: | 2015-12-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | 2.11 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) P449M/Y450L double mutant from Staphylococcus aureus in complex with NAD+ and BME-modified Cys289
To Be Published
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5EYU
 | | 1.72 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) P449M point mutant from Staphylococcus aureus in complex with NAD+ and BME-modified Cys289 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Betaine aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Halavaty, A.S, Minasov, G, Chen, C, Joo, J.C, Yakunin, A.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2015-11-25 | | Release date: | 2015-12-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | 1.72 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) P449M point mutant from Staphylococcus aureus in complex with NAD+ and BME-modified Cys289
To Be Published
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1M33
 | | Crystal Structure of BioH at 1.7 A | | Descriptor: | 1,2-ETHANEDIOL, 3-HYDROXY-PROPANOIC ACID, BioH protein | | Authors: | Sanishvili, R, Savchenko, A, Skarina, T, Edwards, A, Joachimiak, A, Yakunin, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2002-06-26 | | Release date: | 2003-01-21 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Integrating structure, bioinformatics, and enzymology to discover function: BioH, a new carboxylesterase from Escherichia coli.
J.Biol.Chem., 278, 2003
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6MSW
 | | Crystal structure of BH1352 2-deoxyribose-5-phosphate from Bacillus halodurans, K184L mutant | | Descriptor: | Deoxyribose-phosphate aldolase, GLYCEROL | | Authors: | Stogios, P.J, Skarina, T, Kim, T, Yim, V, Yakunin, A, Savchenko, A. | | Deposit date: | 2018-10-18 | | Release date: | 2019-10-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.169 Å) | | Cite: | Rational engineering of 2-deoxyribose-5-phosphate aldolases for the biosynthesis of (R)-1,3-butanediol.
J.Biol.Chem., 295, 2020
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1YOC
 | | Crystal Structure of genomics APC5556 | | Descriptor: | GLYCEROL, hypothetical protein PA1835 | | Authors: | Dong, A, Evdokimova, E, Kudritskam, M, Zhang, R.G, Yakunin, A, Pai, E, Edwards, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2005-01-27 | | Release date: | 2005-03-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of genomics AFPA1835 by Sulfur SAD methods
To be Published
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4WJ0
 | | Structure of PH1245, a cas1 from Pyrococcus horikoshii | | Descriptor: | CHLORIDE ION, CRISPR-associated endonuclease Cas1 | | Authors: | Petit, P, Brown, G, Savchenko, A, Yakunin, A.F. | | Deposit date: | 2014-09-29 | | Release date: | 2014-10-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structure of PH1245, a cas1 from Pyrococcus horikoshii
To Be Published
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5F13
 | | Structure of Mn bound DUF89 from Saccharomyces cerevisiae | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MANGANESE (II) ION, ... | | Authors: | Nocek, B, Skarina, T, Joachimiak, A, Savchenko, A, Yakunin, A. | | Deposit date: | 2015-11-30 | | Release date: | 2016-03-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.393 Å) | | Cite: | A family of metal-dependent phosphatases implicated in metabolite damage-control.
Nat.Chem.Biol., 12, 2016
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4JHC
 | | Crystal structure of the uncharacterized Maf protein YceF from E. coli | | Descriptor: | GLYCEROL, Maf-like protein YceF, UNKNOWN ATOM OR ION | | Authors: | Dong, A, Xu, X, Cui, H, Tchigvintsev, A, Flick, R, Brown, G, Popovic, A, Yakunin, A.F, Savchenko, A. | | Deposit date: | 2013-03-04 | | Release date: | 2013-03-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Biochemical and structural studies of conserved maf proteins revealed nucleotide pyrophosphatases with a preference for modified nucleotides.
Chem.Biol., 20, 2013
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4IC1
 | | Crystal structure of SSO0001 | | Descriptor: | IRON/SULFUR CLUSTER, MANGANESE (II) ION, Uncharacterized protein | | Authors: | Nocek, B, Skarina, T, Lemak, S, Beloglazova, N, Flick, R, Brown, G, Savchenko, A, Joachimiak, A, Yakunin, A.F, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2012-12-09 | | Release date: | 2013-01-16 | | Last modified: | 2014-07-02 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Toroidal structure and DNA cleavage by the CRISPR-associated [4Fe-4S] cluster containing Cas4 nuclease SSO0001 from Sulfolobus solfataricus.
J.Am.Chem.Soc., 135, 2013
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4R5Q
 | | Crystal structure and nuclease activity of the CRISPR-associated Cas4 protein Pcal_0546 from Pyrobaculum calidifontis containing a [2Fe-2S] cluster | | Descriptor: | CRISPR-associated exonuclease, Cas4 family, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Nocek, B, Skarina, T, Lemak, S, Brown, G, Savchenko, A, Joachimiak, A, Yakunin, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-08-21 | | Release date: | 2014-09-17 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal structure and nuclease activity of the CRISPR-associated Cas4 protein Pcal_0546 from Pyrobaculum calidifontis containing a [2Fe-2S] cluster
To be Published
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6AQE
 | | Crystal structure of PPK2 in complex with Mg ATP | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Nocek, B, Joachimiak, A, Yakunin, A. | | Deposit date: | 2017-08-19 | | Release date: | 2019-01-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.805 Å) | | Cite: | Structural Insights into Substrate Selectivity and Activity of Bacterial Polyphosphate Kinases
Acs Catalysis, 8, 2018
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4Q92
 | | 1.90 Angstrom resolution crystal structure of apo betaine aldehyde dehydrogenase (betB) G234S mutant from Staphylococcus aureus (IDP00699) with BME-modified Cys289 | | Descriptor: | Betaine aldehyde dehydrogenase, DI(HYDROXYETHYL)ETHER, SODIUM ION | | Authors: | Halavaty, A.S, Minasov, G, Chen, C, Joo, J.C, Yakunin, A.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-04-28 | | Release date: | 2014-05-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and functional analysis of betaine aldehyde dehydrogenase from Staphylococcus aureus.
Acta Crystallogr.,Sect.D, 71, 2015
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4QJE
 | | 1.85 Angstrom resolution crystal structure of apo betaine aldehyde dehydrogenase (betB) G234S mutant from Staphylococcus aureus (IDP00699) with BME-free sulfinic acid form of Cys289 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Betaine aldehyde dehydrogenase, ... | | Authors: | Halavaty, A.S, Minasov, G, Chen, C, Joo, J.C, Yakunin, A.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-06-03 | | Release date: | 2014-06-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural and functional analysis of betaine aldehyde dehydrogenase from Staphylococcus aureus.
Acta Crystallogr.,Sect.D, 71, 2015
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6AN9
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