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5TTY
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BU of 5tty by Molmil
PagF prenyltransferase
Descriptor: DI(HYDROXYETHYL)ETHER, PagF prenyltransferase
Authors:Hao, Y, Nair, S.K.
Deposit date:2016-11-04
Release date:2016-11-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular basis for the broad substrate selectivity of a peptide prenyltransferase.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5TV6
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BU of 5tv6 by Molmil
A. aeolicus BioW with pimelate
Descriptor: 6-carboxyhexanoate--CoA ligase, PIMELIC ACID
Authors:Estrada, P, Manandhar, M, Dong, S.-H, Deveryshetty, J, Agarwal, V, Cronan, J.E, Nair, S.K.
Deposit date:2016-11-08
Release date:2016-12-07
Last modified:2017-05-31
Method:X-RAY DIFFRACTION (2.456 Å)
Cite:The pimeloyl-CoA synthetase BioW defines a new fold for adenylate-forming enzymes.
Nat. Chem. Biol., 13, 2017
5U5G
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BU of 5u5g by Molmil
Psf3 in complex with NADP+ and 2-OPP
Descriptor: (2-oxopropyl)phosphonic acid, 6-phosphogluconate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Olivares, P, Nair, S.K.
Deposit date:2016-12-06
Release date:2017-01-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.048 Å)
Cite:Characterization of Two Late-Stage Enzymes Involved in Fosfomycin Biosynthesis in Pseudomonads.
ACS Chem. Biol., 12, 2017
5TXC
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BU of 5txc by Molmil
AtxE2 Isopeptidase - APO
Descriptor: AtxE2
Authors:Chekan, J.R, Nair, S.K.
Deposit date:2016-11-16
Release date:2016-12-21
Last modified:2017-01-04
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Structure of the Lasso Peptide Isopeptidase Identifies a Topology for Processing Threaded Substrates.
J. Am. Chem. Soc., 138, 2016
5UAO
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BU of 5uao by Molmil
Crystal structure of MibH, a lathipeptide tryptophan 5-halogenase
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Tryptophane-5-halogenase
Authors:Cogan, D.P, Nair, S.K.
Deposit date:2016-12-19
Release date:2017-01-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Two Flavoenzymes Catalyze the Post-Translational Generation of 5-Chlorotryptophan and 2-Aminovinyl-Cysteine during NAI-107 Biosynthesis.
ACS Chem. Biol., 12, 2017
5U58
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BU of 5u58 by Molmil
Psf4 in complex with Fe2+ and (R)-2-HPP
Descriptor: (S)-2-hydroxypropylphosphonic acid epoxidase, FE (III) ION, [(2R)-2-hydroxypropyl]phosphonic acid
Authors:Chekan, J.R, Nair, S.K.
Deposit date:2016-12-06
Release date:2017-01-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Characterization of Two Late-Stage Enzymes Involved in Fosfomycin Biosynthesis in Pseudomonads.
ACS Chem. Biol., 12, 2017
5TU6
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BU of 5tu6 by Molmil
PagF prenyltransferase with cyclic[INPYLYP] and DMSPP
Descriptor: DIMETHYLALLYL S-THIOLODIPHOSPHATE, MAGNESIUM ION, METHIONINE, ...
Authors:Hao, Y, Nair, S.K.
Deposit date:2016-11-04
Release date:2016-11-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Molecular basis for the broad substrate selectivity of a peptide prenyltransferase.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5TU4
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BU of 5tu4 by Molmil
PagF with Boc-Tyr and DMSPP
Descriptor: DIMETHYLALLYL S-THIOLODIPHOSPHATE, MAGNESIUM ION, N-(tert-butoxycarbonyl)-L-tyrosine, ...
Authors:Hao, Y, Nair, S.K.
Deposit date:2016-11-04
Release date:2016-11-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular basis for the broad substrate selectivity of a peptide prenyltransferase.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5U57
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BU of 5u57 by Molmil
Psf4 in complex with Fe2+ and (S)-2-HPP
Descriptor: (S)-2-HYDROXYPROPYLPHOSPHONIC ACID, (S)-2-hydroxypropylphosphonic acid epoxidase, FE (III) ION
Authors:Chekan, J.R, Nair, S.K.
Deposit date:2016-12-06
Release date:2017-01-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Characterization of Two Late-Stage Enzymes Involved in Fosfomycin Biosynthesis in Pseudomonads.
ACS Chem. Biol., 12, 2017
5TV5
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BU of 5tv5 by Molmil
BioW from Aquifex aeoulicus
Descriptor: 6-carboxyhexanoate--CoA ligase
Authors:Estrada, P, Manandhar, M, Dong, S.-H, Deveryshetty, J, Agarwal, V, Cronan, J.E, Nair, S.K.
Deposit date:2016-11-08
Release date:2016-12-07
Last modified:2017-05-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The pimeloyl-CoA synthetase BioW defines a new fold for adenylate-forming enzymes.
Nat. Chem. Biol., 13, 2017
5UW6
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BU of 5uw6 by Molmil
PCY1 in Complex with Follower Peptide and Covalent Inhibitor ZPP
Descriptor: CALCIUM ION, N-BENZYLOXYCARBONYL-L-PROLYL-L-PROLINAL, Peptide cyclase 1, ...
Authors:Chekan, J.R, Nair, S.K.
Deposit date:2017-02-20
Release date:2017-05-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Characterization of the macrocyclase involved in the biosynthesis of RiPP cyclic peptides in plants.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5V1U
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BU of 5v1u by Molmil
TbiB1 in Complex with the TbiA(beta) Leader Peptide
Descriptor: TbiA(beta) Thr(-5)Glu Leader, TbiB1, ZINC ION
Authors:Chekan, J.R, Nair, S.K.
Deposit date:2017-03-02
Release date:2018-09-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.052 Å)
Cite:Steric complementarity directs sequence promiscuous leader binding in RiPP biosynthesis.
Proc.Natl.Acad.Sci.USA, 116, 2019
5UW3
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BU of 5uw3 by Molmil
PCY1 in Complex with Follower Peptide
Descriptor: CACODYLATE ION, Peptide cyclase 1, Presegetalin A1
Authors:Chekan, J.R, Nair, S.K.
Deposit date:2017-02-20
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Characterization of the macrocyclase involved in the biosynthesis of RiPP cyclic peptides in plants.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5UZW
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BU of 5uzw by Molmil
PCY1 G696Insertion Variant in Complex with Follower Peptide and the Covalent Inhibitor ZPP
Descriptor: CALCIUM ION, N-BENZYLOXYCARBONYL-L-PROLYL-L-PROLINAL, Peptide cyclase 1, ...
Authors:Chekan, J.R, Nair, S.K.
Deposit date:2017-02-27
Release date:2017-05-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Characterization of the macrocyclase involved in the biosynthesis of RiPP cyclic peptides in plants.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5V1V
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BU of 5v1v by Molmil
TbiB1 in Complex with the TbiA(alpha) Leader Peptide
Descriptor: TbiA(alpha) Leader Peptide, TbiB1, ZINC ION
Authors:Chekan, J.R, Nair, S.K.
Deposit date:2017-03-02
Release date:2018-09-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Steric complementarity directs sequence promiscuous leader binding in RiPP biosynthesis.
Proc.Natl.Acad.Sci.USA, 116, 2019
5UW7
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BU of 5uw7 by Molmil
PCY1 Y481F Variant in Complex with Follower Peptide
Descriptor: MAGNESIUM ION, Peptide cyclase 1, Presegetalin A1
Authors:Chekan, J.R, Nair, S.K.
Deposit date:2017-02-20
Release date:2017-05-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Characterization of the macrocyclase involved in the biosynthesis of RiPP cyclic peptides in plants.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5UW5
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BU of 5uw5 by Molmil
PCY1 H695A Variant in Complex with Follower Peptide
Descriptor: CACODYLATE ION, CALCIUM ION, Peptide cyclase 1, ...
Authors:Chekan, J.R, Nair, S.K.
Deposit date:2017-02-20
Release date:2017-05-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Characterization of the macrocyclase involved in the biosynthesis of RiPP cyclic peptides in plants.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5WA4
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BU of 5wa4 by Molmil
Pyridine synthase, TbtD, from thiomuracin biosynthesis bound to an N-terminal leader peptide fragment
Descriptor: Pyridine synthase TbtD, TbtA 16-mer peptide
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 (2.646 Å)
Cite:Structural insights into enzymatic [4+2] aza-cycloaddition in thiopeptide antibiotic biosynthesis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W8C
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BU of 5w8c by Molmil
The structure of a COA-dependent acyl-homoserine lactone synthase, BjaI, with MTA and isovaleryl-CoA
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Autoinducer synthase, CHLORIDE 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 (1.85 Å)
Cite:Molecular basis for the substrate specificity of quorum signal synthases.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W8D
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BU of 5w8d by Molmil
The structure of a COA-dependent acyl-homoserine lactone synthase, BjaI, with MTA
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Autoinducer synthase, GLYCEROL
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
5W99
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BU of 5w99 by Molmil
Pyridine synthase, PbtD, from GE2270 biosynthesis bound to TSP
Descriptor: 2,2'-(6-(2'-(aminomethyl)-[2,4'-bithiazol]-4-yl)pyridine-2,5-diyl)bis(thiazole-4-carboxylic acid), PbtD, SULFATE ION
Authors:Cogan, D.P, Nair, S.K.
Deposit date:2017-06-22
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Structural insights into enzymatic [4+2] aza-cycloaddition in thiopeptide antibiotic biosynthesis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W98
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BU of 5w98 by Molmil
Pyridine synthase, PbtD, from GE2270 biosynthesis
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PbtD
Authors:Cogan, D.P, Nair, S.K.
Deposit date:2017-06-22
Release date:2017-11-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Structural insights into enzymatic [4+2] aza-cycloaddition in thiopeptide antibiotic biosynthesis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W8A
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BU of 5w8a by Molmil
The structure of a COA-dependent acyl-homoserine lactone synthase, BjaI, with SAM and isopentyl-CoA
Descriptor: Autoinducer synthase, S-ADENOSYLMETHIONINE, isopentyl-Coenzyme A
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
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
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
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

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