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4GS1
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BU of 4gs1 by Molmil
Crystal structure of DyP-type peroxidase from Thermobifida cellulosilytica
Descriptor: DyP-type peroxidase, GLYCEROL, OXYGEN MOLECULE, ...
Authors:Lukk, T, Hetta, A.M.A, Jones, A, Solbiati, J, Majumdar, S, Cronan, J.E, Gerlt, J.A, Nair, S.K.
Deposit date:2012-08-27
Release date:2013-09-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:DyP-type peroxidases from Stretptomyces and Thermobifida can modify organosolv lignin.
To be Published
5W8G
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BU of 5w8g by Molmil
The structure of a COA-dependent acyl-homoserine lactone synthase, BjaI, with SAH
Descriptor: Autoinducer synthase, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION
Authors:Dong, S.-H, Nair, S.K.
Deposit date:2017-06-21
Release date:2017-08-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular basis for the substrate specificity of quorum signal synthases.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W8E
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BU of 5w8e by Molmil
The structure of a CoA-dependent acyl-homoserine lactone synthase, BjaI, with the adduct of SAH and IV-CoA
Descriptor: (2S)-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)-2-[(3-methylbutanoyl)amino]butanoic acid, ADENINE, Autoinducer synthase, ...
Authors:Dong, S.-H, Nair, S.K.
Deposit date:2017-06-21
Release date:2017-08-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular basis for the substrate specificity of quorum signal synthases.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5WA3
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BU of 5wa3 by Molmil
Pyridine synthase, TbtD, from thiomuracin biosynthesis
Descriptor: Pyridine synthase TbtD
Authors:Cogan, D.P, Nair, S.K.
Deposit date:2017-06-24
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into enzymatic [4+2] aza-cycloaddition in thiopeptide antibiotic biosynthesis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6C0H
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BU of 6c0h by Molmil
Lysinoalanine synthase, DurN, from duramycin biosynthesis bound to 1-Dha6Ala
Descriptor: GLN-DAL-CYS-ALA-PHE-GLY-PRO-PHE-DBB-PHE-VAL-CYS-BH2-GLY, Lysinoalanine synthase, POTASSIUM ION
Authors:Cogan, D.P, Nair, S.K.
Deposit date:2017-12-31
Release date:2018-09-05
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Substrate-assisted enzymatic formation of lysinoalanine in duramycin.
Nat. Chem. Biol., 14, 2018
6C0G
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BU of 6c0g by Molmil
Lysinoalanine synthase, DurN, from duramycin biosynthesis
Descriptor: Lysinoalanine synthase, POTASSIUM ION
Authors:Cogan, D.P, Nair, S.K.
Deposit date:2017-12-31
Release date:2018-09-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.145 Å)
Cite:Substrate-assisted enzymatic formation of lysinoalanine in duramycin.
Nat. Chem. Biol., 14, 2018
6C28
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BU of 6c28 by Molmil
Transcriptional repressor, CouR, bound to p-coumaroyl-CoA
Descriptor: Transcriptional regulator, MarR family, p-coumaroyl-CoA
Authors:Cogan, D.P, Nair, S.K.
Deposit date:2018-01-07
Release date:2018-05-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural basis of transcriptional regulation by CouR, a repressor of coumarate catabolism, inRhodopseudomonas palustris.
J. Biol. Chem., 293, 2018
6C8S
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BU of 6c8s by Molmil
Loganic acid methyltransferase with SAH
Descriptor: Loganic acid O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Petronikolou, N, Nair, S.K.
Deposit date:2018-01-25
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Loganic Acid Methyltransferase: Insights into the Specificity of Methylation on an Iridoid Glycoside.
Chembiochem, 19, 2018
6C0Y
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BU of 6c0y by Molmil
Lysinoalanine synthase, DurN, from duramycin biosynthesis bound to duramycin
Descriptor: CYS-LYS-GLN-DAL-CYS-ALA-PHE-GLY-PRO-PHE-DBB-PHE-VAL-CYS-BH2-GLY-ASN-DBB-LYS, Lysinoalanine synthase, POTASSIUM ION
Authors:Cogan, D.P, Nair, S.K.
Deposit date:2018-01-03
Release date:2018-09-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Substrate-assisted enzymatic formation of lysinoalanine in duramycin.
Nat. Chem. Biol., 14, 2018
6C9T
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BU of 6c9t by Molmil
Transcriptional repressor, CouR
Descriptor: CouR
Authors:Cogan, D.P, Nair, S.K.
Deposit date:2018-01-28
Release date:2018-05-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural basis of transcriptional regulation by CouR, a repressor of coumarate catabolism, inRhodopseudomonas palustris.
J. Biol. Chem., 293, 2018
4IIY
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BU of 4iiy by Molmil
Structure of MccF in complex with glutamyl sulfamoyl inosine
Descriptor: 1,2-ETHANEDIOL, 5'-O-(L-alpha-glutamylsulfamoyl)inosine, MccF
Authors:Agarwal, V, Nair, S.K.
Deposit date:2012-12-20
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure of MccF with substrate analogs
To be Published
4IM7
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BU of 4im7 by Molmil
Crystal structure of fructuronate reductase (ydfI) from E. coli CFT073 (EFI TARGET EFI-506389) complexed with NADH and D-mannonate
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, D-MANNONIC ACID, Hypothetical oxidoreductase ydfI, ...
Authors:Lukk, T, Wichelecki, D, Imker, H.J, Gerlt, J.A, Nair, S.K.
Deposit date:2013-01-02
Release date:2013-01-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of fructuronate reductase (ydfI) from E. coli CFT073 (EFI TARGET EFI-506389) complexed with NADH and D-mannonate
To be Published
4IL2
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BU of 4il2 by Molmil
Crystal structure of D-mannonate dehydratase (rspA) from E. coli CFT073 (EFI TARGET EFI-501585)
Descriptor: MAGNESIUM ION, Starvation sensing protein rspA
Authors:Lukk, T, Wichelecki, D, Imker, H.J, Gerlt, J.A, Nair, S.K.
Deposit date:2012-12-28
Release date:2013-02-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Mannonate degradation pathway in E. coli CFT073
To be Published
4IIX
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BU of 4iix by Molmil
Structure of MccF in complex with glutamyl sulfamoyl guanosine
Descriptor: 1,2-ETHANEDIOL, 5'-O-(L-alpha-glutamylsulfamoyl)guanosine, MccF
Authors:Agarwal, V, Nair, S.K.
Deposit date:2012-12-20
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.229 Å)
Cite:Structure of MccF with substrate analogs
To be Published
4INE
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BU of 4ine by Molmil
Crystal structure of N-methyl transferase (PMT-2) from Caenorhabditis elegant complexed with S-adenosyl homocysteine and phosphoethanolamine
Descriptor: BETA-MERCAPTOETHANOL, PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, Protein PMT-2, ...
Authors:Lukk, T, Nair, S.K.
Deposit date:2013-01-04
Release date:2014-01-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of N-methyl transferase (PMT-2) from Caenorhabditis elegant complexed with S-adenosyl homocysteine and phosphoethanolamine
To be Published
4ILK
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BU of 4ilk by Molmil
Crystal structure of short chain alcohol dehydrogenase (rspB) from E. coli CFT073 (EFI TARGET EFI-506413) complexed with cofactor NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, MANGANESE (II) ION, Starvation sensing protein rspB, ...
Authors:Lukk, T, Wichelecki, D, Imker, H.J, Gerlt, J.A, Nair, S.K.
Deposit date:2012-12-31
Release date:2013-01-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:Crystal structure of short chain alcohol dehydrogenase (rspB) from E. coli CFT073 (EFI TARGET EFI-506413) complexed with cofactor NADH
To be Published
4IL0
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BU of 4il0 by Molmil
Crystal structure of GlucDRP from E. coli K-12 MG1655 (EFI target EFI-506058)
Descriptor: CITRIC ACID, GLYCEROL, Glucarate dehydratase-related protein
Authors:Lukk, T, Ghasempur, S, Imker, H.J, Gerlt, J.A, Nair, S.K, Enzyme Function Initiative (EFI)
Deposit date:2012-12-28
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Glucarate dehydratase and its related protein from Escherichia coli form a heterotetrameric complex.
to be published
4IV8
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BU of 4iv8 by Molmil
Crystal structure of N-methyl transferase from Plasmodium knowlesi complexed with S-adenosyl methionine
Descriptor: BETA-MERCAPTOETHANOL, Phosphoethanolamine N-methyltransferase,putative, S-ADENOSYLMETHIONINE
Authors:Lukk, T, Nair, S.K.
Deposit date:2013-01-22
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Phosphoethanolamine N-methyl transferase is a Malarial drug target.
To be Published
4IV0
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BU of 4iv0 by Molmil
Crystal structure of N-methyl transferase from Plasmodium vivax complexed with S-adenosyl methionine and phosphate
Descriptor: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, PHOSPHATE ION, ...
Authors:Lukk, T, Nair, S.K.
Deposit date:2013-01-22
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Phosphoethanolamine N-methyl transferase is a Malarial drug target
To be Published
4K8G
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BU of 4k8g by Molmil
Crystal structure of D-Mannonate dehydratase from Novosphingobium aromaticivorans mutant (V161A, R163A, K165G, L166A, Y167G, Y168A, E169G)
Descriptor: GLYCEROL, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme, ...
Authors:Lukk, T, Wichelecki, D, Gerlt, J.A, Nair, S.K.
Deposit date:2013-04-18
Release date:2013-05-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structure of D-Mannonate dehydratase from Novosphingobium aromaticivorans mutant (V161A, R163A, K165G, L166A, Y167G, Y168A, E169G)
To be Published
4KWC
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BU of 4kwc by Molmil
Structure of the plantazolicin methyltransferase BpumL in complex with SAH
Descriptor: BpumL, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Hao, Y, Nair, S.K.
Deposit date:2013-05-23
Release date:2013-07-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.994 Å)
Cite:Structural and functional insight into an unexpectedly selective N-methyltransferase involved in plantazolicin biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4KVZ
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BU of 4kvz by Molmil
Crystal structure of the plantazolicin methyltransferase BamL in complex with SAH
Descriptor: BamL, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Hao, Y, Nair, S.K.
Deposit date:2013-05-23
Release date:2013-07-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and functional insight into an unexpectedly selective N-methyltransferase involved in plantazolicin biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4MGS
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BU of 4mgs by Molmil
BiXyn10A CBM1 APO
Descriptor: Putative glycosyl hydrolase family 10
Authors:Chekan, J.R, Nair, S.K.
Deposit date:2013-08-28
Release date:2014-08-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Xylan utilization in human gut commensal bacteria is orchestrated by unique modular organization of polysaccharide-degrading enzymes.
Proc.Natl.Acad.Sci.USA, 111, 2014
4MGQ
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BU of 4mgq by Molmil
PbXyn10C CBM APO
Descriptor: CALCIUM ION, Glycosyl hydrolase family 10
Authors:Chekan, J.R, Nair, S.K.
Deposit date:2013-08-28
Release date:2014-08-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Xylan utilization in human gut commensal bacteria is orchestrated by unique modular organization of polysaccharide-degrading enzymes.
Proc.Natl.Acad.Sci.USA, 111, 2014
3OEB
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BU of 3oeb by Molmil
Crystal structure of the Q121E mutant of C.polysaccharolyticus CBM16-1 bound to mannopentaose
Descriptor: CALCIUM ION, S-layer associated multidomain endoglucanase, SULFATE ION, ...
Authors:Agarwal, V, Nair, S.K.
Deposit date:2010-08-12
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Mutational insights into the roles of amino acid residues in ligand binding for two closely related family 16 carbohydrate binding modules.
J.Biol.Chem., 285, 2010

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