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1MUA
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BU of 1mua by Molmil
STRUCTURE AND ENERGETICS OF A NON-PROLINE CIS-PEPTIDYL LINKAGE IN AN ENGINEERED PROTEIN
Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
Authors:Nair, S.K, Christianson, D.W.
Deposit date:1993-06-18
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and energetics of a non-proline cis-peptidyl linkage in a proline-202-->alanine carbonic anhydrase II variant.
Biochemistry, 32, 1993
4OK4
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BU of 4ok4 by Molmil
Crystal Structure of Alg17c Mutant H202L
Descriptor: Putative alginate lyase, ZINC ION
Authors:Nair, S.K, Park, D.S.
Deposit date:2014-01-21
Release date:2014-01-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of a PL17 Family Alginate Lyase Demonstrates Functional Similarities among Exotype Depolymerases.
J.Biol.Chem., 289, 2014
4OJZ
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BU of 4ojz by Molmil
Crystal Structure of Alg17c Mutant Y258A Complexed with Alginate Trisaccharide
Descriptor: 1,2-ETHANEDIOL, Putative alginate lyase, ZINC ION, ...
Authors:Nair, S.K, Park, D.S.
Deposit date:2014-01-21
Release date:2014-01-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of a PL17 Family Alginate Lyase Demonstrates Functional Similarities among Exotype Depolymerases.
J.Biol.Chem., 289, 2014
4NU5
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BU of 4nu5 by Molmil
Crystal Structure of PTDH R301A
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Phosphonate dehydrogenase
Authors:Nair, S.K, Chekan, J.R.
Deposit date:2013-12-03
Release date:2014-03-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Chemical rescue and inhibition studies to determine the role of arg301 in phosphite dehydrogenase.
Plos One, 9, 2014
4NU6
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BU of 4nu6 by Molmil
Crystal Structure of PTDH R301K
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Phosphonate dehydrogenase, SULFATE ION
Authors:Nair, S.K, Chekan, J.R.
Deposit date:2013-12-03
Release date:2014-03-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Chemical rescue and inhibition studies to determine the role of arg301 in phosphite dehydrogenase.
Plos One, 9, 2014
4OK2
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BU of 4ok2 by Molmil
Crystal Structure of Alg17c Mutant Y258A
Descriptor: Putative alginate lyase, ZINC ION
Authors:Nair, S.K, Park, D.S.
Deposit date:2014-01-21
Release date:2014-01-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure of a PL17 Family Alginate Lyase Demonstrates Functional Similarities among Exotype Depolymerases.
J.Biol.Chem., 289, 2014
4H6W
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BU of 4h6w by Molmil
Structure of Prenylagaramide maturation protease PagA
Descriptor: N-terminal cyanobactin protease
Authors:Nair, S.K, Agarwal, V.
Deposit date:2012-09-19
Release date:2012-10-03
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structures of cyanobactin maturation enzymes define a family of transamidating proteases.
Chem.Biol., 19, 2012
4H6X
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BU of 4h6x by Molmil
Structure of Patellamide maturation protease PatG
Descriptor: Thiazoline oxidase/subtilisin-like protease
Authors:Nair, S.K, Agarwal, V.
Deposit date:2012-09-19
Release date:2012-10-03
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of cyanobactin maturation enzymes define a family of transamidating proteases.
Chem.Biol., 19, 2012
4I3V
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BU of 4i3v by Molmil
Structure of phosphonoacetaldehyde dehydrogenase in complex with phosphonoacetaldehyde and cofactor NAD+
Descriptor: Aldehyde dehydrogenase (NAD+), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHONOACETALDEHYDE
Authors:Nair, S.K, Agarwal, V.
Deposit date:2012-11-26
Release date:2013-11-27
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and function of phosphonoacetaldehyde dehydrogenase: the missing link in phosphonoacetate formation.
Chem.Biol., 21, 2014
4I3U
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BU of 4i3u by Molmil
Structure of phosphonoacetaldehyde dehydrogenase in complex with phosphonoacetaldehyde
Descriptor: Aldehyde dehydrogenase (NAD+), PHOSPHONOACETALDEHYDE
Authors:Nair, S.K, Agarwal, V.
Deposit date:2012-11-26
Release date:2013-11-27
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and function of phosphonoacetaldehyde dehydrogenase: the missing link in phosphonoacetate formation.
Chem.Biol., 21, 2014
4I3W
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BU of 4i3w by Molmil
Structure of phosphonoacetaldehyde dehydrogenase in complex with gylceraldehyde-3-phosphate and cofactor NAD+
Descriptor: Aldehyde dehydrogenase (NAD+), GLYCERALDEHYDE-3-PHOSPHATE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Nair, S.K, Agarwal, V.
Deposit date:2012-11-26
Release date:2013-11-27
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structure and function of phosphonoacetaldehyde dehydrogenase: the missing link in phosphonoacetate formation.
Chem.Biol., 21, 2014
4I3T
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BU of 4i3t by Molmil
Structure of phosphonoacetaldehyde dehydrogenase in the apo state
Descriptor: Aldehyde dehydrogenase (NAD+), PHOSPHATE ION
Authors:Nair, S.K, Agarwal, V.
Deposit date:2012-11-26
Release date:2013-11-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and function of phosphonoacetaldehyde dehydrogenase: the missing link in phosphonoacetate formation.
Chem.Biol., 21, 2014
4I3X
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BU of 4i3x by Molmil
Structure of phosphonoacetaldehyde dehydrogenase in complex with phosphonoacetate and cofactor NAD+
Descriptor: Aldehyde dehydrogenase (NAD+), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHONOACETIC ACID
Authors:Nair, S.K, Agarwal, V.
Deposit date:2012-11-26
Release date:2013-11-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structure and function of phosphonoacetaldehyde dehydrogenase: the missing link in phosphonoacetate formation.
Chem.Biol., 21, 2014
4H6V
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BU of 4h6v by Molmil
Structure of Patellamide maturation protease PatA
Descriptor: Subtilisin-like protein
Authors:Nair, S.K, Agarwal, V.
Deposit date:2012-09-19
Release date:2012-10-03
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of cyanobactin maturation enzymes define a family of transamidating proteases.
Chem.Biol., 19, 2012
3R95
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BU of 3r95 by Molmil
Crystal structure of Microcin C7 self immunity acetyltransferase MccE in complex with Acetyl-CoA
Descriptor: ACETYL COENZYME *A, MccE protein
Authors:Nair, S.K, Agarwal, V.
Deposit date:2011-03-24
Release date:2011-04-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis for Microcin C7 Inactivation by the MccE Acetyltransferase.
J.Biol.Chem., 286, 2011
3R9F
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BU of 3r9f by Molmil
Crystal structure of Microcin C7 self immunity acetyltransferase MccE in complex with Coenzyme A and Glutamyl sulfamoyl adenosine (ESA)
Descriptor: COENZYME A, MccE protein, O5'-(L-GLUTAMYL-SULFAMOYL)-ADENOSINE
Authors:Nair, S.K, Agarwal, V.
Deposit date:2011-03-25
Release date:2011-04-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural Basis for Microcin C7 Inactivation by the MccE Acetyltransferase.
J.Biol.Chem., 286, 2011
3R9E
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BU of 3r9e by Molmil
Crystal structure of Microcin C7 self immunity acetyltransferase MccE in complex with coenzyme A and aspartyl sulfamoyl adenosine (DSA)
Descriptor: 5'-O-(L-alpha-aspartylsulfamoyl)adenosine, COENZYME A, MccE protein
Authors:Nair, S.K, Agarwal, V.
Deposit date:2011-03-25
Release date:2011-04-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural Basis for Microcin C7 Inactivation by the MccE Acetyltransferase.
J.Biol.Chem., 286, 2011
3R96
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BU of 3r96 by Molmil
Crystal structure of Microcin C7 self immunity acetyltransferase MccE in complex with Acetyl-CoA and AMP
Descriptor: ACETYL COENZYME *A, ADENOSINE MONOPHOSPHATE, MccE protein
Authors:Nair, S.K, Agarwal, V.
Deposit date:2011-03-24
Release date:2011-04-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural Basis for Microcin C7 Inactivation by the MccE Acetyltransferase.
J.Biol.Chem., 286, 2011
3R9G
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BU of 3r9g by Molmil
Crystal structure of Microcin C7 self immunity acetyltransferase MccE in complex with Coenzyme A and processed Microcin C7 antibiotic
Descriptor: 5'-O-[(R)-[(N-acetyl-L-alpha-aspartyl)amino](3-aminopropoxy)phosphoryl]adenosine, COENZYME A, MccE protein
Authors:Nair, S.K, Agarwal, V.
Deposit date:2011-03-25
Release date:2011-04-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural Basis for Microcin C7 Inactivation by the MccE Acetyltransferase.
J.Biol.Chem., 286, 2011
3G7D
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BU of 3g7d by Molmil
Native PhpD with Cadmium Atoms
Descriptor: CADMIUM ION, PhpD
Authors:Nair, S.K.
Deposit date:2009-02-09
Release date:2009-06-09
Last modified:2012-03-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An unusual carbon-carbon bond cleavage reaction during phosphinothricin biosynthesis.
Nature, 459, 2009
8T19
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BU of 8t19 by Molmil
RiPP precursor peptide recognition element (RRE) domain of Ocin-ThiF-like partner protein, PbtF, bound to an 8 residue fragment of its precursor peptide, PbtA
Descriptor: MAGNESIUM ION, PbtA, PbtF
Authors:Cogan, D.P, Nair, S.K, Mitchell, D.A.
Deposit date:2023-06-02
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Discovery and validation of RRE domains
To Be Published
8UZD
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BU of 8uzd by Molmil
The structure of IpCS3, a theobromine methyltransferase from Yerba Mate
Descriptor: CAFFEINE, IpCS3, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Hernandez Garcia, A, Nair, S.K.
Deposit date:2023-11-14
Release date:2024-01-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.721 Å)
Cite:Yerba mate (Ilex paraguariensis) genome provides new insights into convergent evolution of caffeine biosynthesis
To Be Published
6XP8
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BU of 6xp8 by Molmil
The crystal structure of TfuA involved in peptide backbone thioamidation from Methanosarcina acetivorans
Descriptor: TfuA domain-containing protein
Authors:Dong, S.-H, Nair, S.K.
Deposit date:2020-07-08
Release date:2021-03-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Functional elucidation of TfuA in peptide backbone thioamidation.
Nat.Chem.Biol., 17, 2021
4MWZ
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BU of 4mwz by Molmil
Crystal structure of N-methyl transferase from Plasmodium vivax complexed with S-adenosyl methionine, phosphate and amodiaquine
Descriptor: 4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-2-[(DIETHYLAMINO)METHYL]PHENOL, BETA-MERCAPTOETHANOL, PHOSPHATE ION, ...
Authors:Lukk, T, Nair, S.K.
Deposit date:2013-09-25
Release date:2014-10-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Phosphoethanolamine N-methyl transferase is a Malarial drug target
to be published
4ETZ
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BU of 4etz by Molmil
Crystal Structure of PelD 158-CT from Pseudomonas aeruginosa PAO1
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), PelD
Authors:Li, Z, Chen, J, Nair, S.K.
Deposit date:2012-04-24
Release date:2012-07-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structures of the PelD Cyclic Diguanylate Effector Involved in Pellicle Formation in Pseudomonas aeruginosa PAO1.
J.Biol.Chem., 287, 2012

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