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6PE3
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BU of 6pe3 by Molmil
Structure of YcaO enzyme from Methanocaldococcus jannaschii in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Uncharacterized protein MJ1094
Authors:Dong, S.-H, Nair, S.K.
Deposit date:2019-06-19
Release date:2020-01-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanistic Basis for Ribosomal Peptide Backbone Modifications.
Acs Cent.Sci., 5, 2019
6OM4
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BU of 6om4 by Molmil
The structure of Microcin C7 biosynthetic enzyme MccB in complex with N-formylated MccA
Descriptor: 5'-O-[(S)-amino(hydroxy)phosphoryl]adenosine, MAGNESIUM ION, MccB protein, ...
Authors:Dong, S.-H, Nair, S.K.
Deposit date:2019-04-18
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biosynthesis of the RiPP trojan horse nucleotide antibiotic microcin C is directed by theN-formyl of the peptide precursor.
Chem Sci, 10, 2019
3UQ5
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BU of 3uq5 by Molmil
X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) mutant L240A F247L (L9A F16L) in the presence of 10 mM cysteamine
Descriptor: Gamma-aminobutyric-acid receptor subunit beta-1, SODIUM ION
Authors:Gonzalez-Gutierrez, G, Lukk, T, Agarwal, V, Papke, D, Nair, S.K, Grosman, C.
Deposit date:2011-11-19
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Mutations that stabilize the open state of the Erwinia chrisanthemi ligand-gated ion channel fail to change the conformation of the pore domain in crystals.
Proc.Natl.Acad.Sci.USA, 109, 2012
3UQ4
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BU of 3uq4 by Molmil
X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) mutant F247L (F16L)
Descriptor: Gamma-aminobutyric-acid receptor subunit beta-1, SODIUM ION
Authors:Gonzalez-Gutierrez, G, Lukk, T, Agarwal, V, Papke, D, Nair, S.K, Grosman, C.
Deposit date:2011-11-19
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Mutations that stabilize the open state of the Erwinia chrisanthemi ligand-gated ion channel fail to change the conformation of the pore domain in crystals.
Proc.Natl.Acad.Sci.USA, 109, 2012
3UQ7
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BU of 3uq7 by Molmil
X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) mutant L240S F247L (L9S F16L) in presence of 10 mM cysteamine
Descriptor: Gamma-aminobutyric-acid receptor subunit beta-1
Authors:Gonzalez-Gutierrez, G, Lukk, T, Agarwal, V, Papke, D, Nair, S.K, Grosman, C.
Deposit date:2011-11-19
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Mutations that stabilize the open state of the Erwinia chrisanthemi ligand-gated ion channel fail to change the conformation of the pore domain in crystals.
Proc.Natl.Acad.Sci.USA, 109, 2012
6M7Y
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BU of 6m7y by Molmil
Dehydratase, NisB, bound to a non-eliminable substrate analog
Descriptor: Lantibiotic, Nisin biosynthesis protein NisB
Authors:Cogan, D.P, Nair, S.K.
Deposit date:2018-08-21
Release date:2019-08-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.794 Å)
Cite:Characterization of glutamyl-tRNA-dependent dehydratases using nonreactive substrate mimics.
Proc.Natl.Acad.Sci.USA, 116, 2019
7QOS
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BU of 7qos by Molmil
Cyclopropane fatty acid synthase from Aquifex aeolicous with bound ligands
Descriptor: 2-azanylethyl-[(2~{S})-2,3-di(hexadecanoyloxy)propoxy]phosphinic acid, CARBONATE ION, Cyclopropane-fatty-acyl-phospholipid synthase, ...
Authors:Lukk, T, Cronan, J.E, Nair, S.K.
Deposit date:2021-12-28
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of cyclopropane fatty acid synthase from Aquifex aeolicus
To Be Published
6MJF
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BU of 6mjf by Molmil
Catalytic Domain of dbOphMA
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, dbOphM
Authors:Ongpipatanakul, C, Nair, S.K.
Deposit date:2018-09-20
Release date:2018-10-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.198 Å)
Cite:Molecular Basis for Autocatalytic Backbone N-Methylation in RiPP Natural Product Biosynthesis.
ACS Chem. Biol., 13, 2018
6MPZ
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BU of 6mpz by Molmil
Crystal structure of a double glycine motif protease from AMS/PCAT transporter in complex with the leader peptide
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE, Double Glycine Motif Protease domain from AMS/PCAT Transporter, peptide aldehyde inhibitor 1 based on the ProcA2.8 leader peptide
Authors:Dong, S.-H, Nair, S.K.
Deposit date:2018-10-09
Release date:2019-02-06
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insights into AMS/PCAT transporters from biochemical and structural characterization of a double Glycine motif protease.
Elife, 8, 2019
6MJG
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BU of 6mjg by Molmil
Structure of dbOphMA in Complex with SAH and Methylated Peptide
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION, fusion protein of dbOphMA and methylated peptide
Authors:Ongpipattanakul, C, Nair, S.K.
Deposit date:2018-09-20
Release date:2018-10-03
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.123 Å)
Cite:Molecular Basis for Autocatalytic Backbone N-Methylation in RiPP Natural Product Biosynthesis.
ACS Chem. Biol., 13, 2018
6NMX
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BU of 6nmx by Molmil
Threonine synthase from Bacillus subtilis ATCC 6633 with PLP and APPA
Descriptor: (2E,3Z)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-5-phosphonopent-3-enoic acid, Threonine synthase
Authors:Petronikolou, N, Nair, S.K.
Deposit date:2019-01-12
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.971 Å)
Cite:Molecular Basis of Bacillus subtilis ATCC 6633 Self-Resistance to the Phosphono-oligopeptide Antibiotic Rhizocticin.
ACS Chem. Biol., 14, 2019
7RTY
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BU of 7rty by Molmil
Crystal Structure of PsfC from Pseudomonas syringae PB-5123
Descriptor: FE (II) ION, PsfC
Authors:Ongpipattanakul, C, Nair, S.K.
Deposit date:2021-08-16
Release date:2021-09-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.963 Å)
Cite:Biosynthesis of fosfomycin in pseudomonads reveals an unexpected enzymatic activity in the metallohydrolase superfamily.
Proc.Natl.Acad.Sci.USA, 118, 2021
7RC3
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BU of 7rc3 by Molmil
Aeronamide N-methyltransferase, AerE (Y137F)
Descriptor: ASPARTIC ACID, CALCIUM ION, HEXAETHYLENE GLYCOL, ...
Authors:Cogan, D.P, Reyes, R, Nair, S.K.
Deposit date:2021-07-07
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structure and mechanism for iterative amide N -methylation in the biosynthesis of channel-forming peptide cytotoxins.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RC2
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BU of 7rc2 by Molmil
Aeronamide N-methyltransferase, AerE
Descriptor: CALCIUM ION, Methyltransferase family protein, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Cogan, D.P, Reyes, R, Nair, S.K.
Deposit date:2021-07-07
Release date:2022-03-30
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structure and mechanism for iterative amide N -methylation in the biosynthesis of channel-forming peptide cytotoxins.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RC5
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BU of 7rc5 by Molmil
Aeronamide N-methyltransferase, AerE (N231A)
Descriptor: CALCIUM ION, Methyltransferase family protein, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Cogan, D.P, Reyes, R, Nair, S.K.
Deposit date:2021-07-07
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structure and mechanism for iterative amide N -methylation in the biosynthesis of channel-forming peptide cytotoxins.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RC4
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BU of 7rc4 by Molmil
Aeronamide N-methyltransferase, AerE (D141A)
Descriptor: CALCIUM ION, HEXAETHYLENE GLYCOL, Methyltransferase family protein, ...
Authors:Cogan, D.P, Reyes, R, Nair, S.K.
Deposit date:2021-07-07
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structure and mechanism for iterative amide N -methylation in the biosynthesis of channel-forming peptide cytotoxins.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RC6
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BU of 7rc6 by Molmil
Aeronamide N-methyltransferase, AerE, bound to modified peptide substrate, AerA-DL,34
Descriptor: Aeronamide A peptide, Methyltransferase family protein, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Cogan, D.P, Reyes, R, Nair, S.K.
Deposit date:2021-07-07
Release date:2022-03-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structure and mechanism for iterative amide N -methylation in the biosynthesis of channel-forming peptide cytotoxins.
Proc.Natl.Acad.Sci.USA, 119, 2022
2ZEX
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BU of 2zex by Molmil
Family 16 carbohydrate binding module
Descriptor: CALCIUM ION, S-layer associated multidomain endoglucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Bae, B, Nair, S.K.
Deposit date:2007-12-18
Release date:2008-03-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Molecular Basis for the Selectivity and Specificity of Ligand Recognition by the Family 16 Carbohydrate-binding Modules from Thermoanaerobacterium polysaccharolyticum ManA
J.Biol.Chem., 283, 2008
2ZEZ
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BU of 2zez by Molmil
Family 16 Carbohydrate Binding Module-2
Descriptor: CALCIUM ION, S-layer associated multidomain endoglucanase
Authors:Bae, B, Nair, S.K.
Deposit date:2007-12-18
Release date:2008-03-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular Basis for the Selectivity and Specificity of Ligand Recognition by the Family 16 Carbohydrate-binding Modules from Thermoanaerobacterium polysaccharolyticum ManA
J.Biol.Chem., 283, 2008
2ZEW
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BU of 2zew by Molmil
Family 16 Cabohydrate Binding Domain Module 1
Descriptor: CALCIUM ION, S-layer associated multidomain endoglucanase
Authors:Bae, B, Nair, S.K.
Deposit date:2007-12-18
Release date:2008-03-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular Basis for the Selectivity and Specificity of Ligand Recognition by the Family 16 Carbohydrate-binding Modules from Thermoanaerobacterium polysaccharolyticum ManA
J.Biol.Chem., 283, 2008
4YAR
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BU of 4yar by Molmil
2-Hydroxyethylphosphonate dioxygenase (HEPD) E176H
Descriptor: 2-hydroxyethylphosphonate dioxygenase, ACETATE ION, CADMIUM ION, ...
Authors:Chekan, J.R, Nair, S.K.
Deposit date:2015-02-17
Release date:2015-03-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A Common Late-Stage Intermediate in Catalysis by 2-Hydroxyethyl-phosphonate Dioxygenase and Methylphosphonate Synthase.
J.Am.Chem.Soc., 137, 2015
4ZOQ
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BU of 4zoq by Molmil
Crystal Structure of a Lanthipeptide Protease
Descriptor: Intracellular serine protease
Authors:Dong, S.H, Nair, S.K.
Deposit date:2015-05-06
Release date:2016-03-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Applications of the class II lanthipeptide protease LicP for sequence-specific, traceless peptide bond cleavage.
Chem Sci, 6, 2015
5BSR
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BU of 5bsr by Molmil
Crystal structure of 4-coumarate:CoA ligase complexed with adenosine monophosphate and Coenzyme A
Descriptor: 4-coumarate--CoA ligase 2, ADENOSINE MONOPHOSPHATE, COENZYME A, ...
Authors:Li, Z, Nair, S.K.
Deposit date:2015-06-02
Release date:2016-05-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Basis for Specificity and Flexibility in a Plant 4-Coumarate:CoA Ligase.
Structure, 23, 2015
5BSV
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BU of 5bsv by Molmil
Crystal structure of 4-coumarate:CoA ligase complexed with feruloyl adenylate
Descriptor: 4-coumarate--CoA ligase 2, 5'-O-[(R)-hydroxy{[(2E)-3-(5-methoxy-4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine
Authors:Li, Z, Nair, S.K.
Deposit date:2015-06-02
Release date:2016-05-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Basis for Specificity and Flexibility in a Plant 4-Coumarate:CoA Ligase.
Structure, 23, 2015
5BKE
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BU of 5bke by Molmil
Crystal structure of AAD-2 in complex with Mn(II) and N-oxalylglycine
Descriptor: Alpha-ketoglutarate-dependent 2,4-dichlorophenoxyacetate dioxygenase, MANGANESE (II) ION, N-OXALYLGLYCINE, ...
Authors:Chekan, J.R, Nair, S.K.
Deposit date:2019-06-02
Release date:2019-06-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants.
Proc.Natl.Acad.Sci.USA, 116, 2019

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