5W8G
 
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4ETX
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4EUV
 | | Crystal Structure of PelD 158-CT from Pseudomonas aeruginosa PAO1, in complex with c-di-GMP, form 1 | | 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: | 2012-04-25 | | Release date: | 2012-07-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 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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5UAO
 | | 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
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5W8D
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5UY9
 | | Prolyl isomerase Pin1 R14A mutant bound with Brd4 peptide | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Brd4 peptide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | | Authors: | Dong, S.-H, Nair, S. | | Deposit date: | 2017-02-23 | | Release date: | 2017-04-26 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Prolyl isomerase PIN1 regulates the stability, transcriptional activity and oncogenic potential of BRD4.
Oncogene, 36, 2017
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5W8E
 | | 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
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5TVA
 | | A. aeolicus BioW with AMP and CoA | | Descriptor: | 6-carboxyhexanoate--CoA ligase, ADENOSINE MONOPHOSPHATE, COENZYME A | | 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 (2.25 Å) | | Cite: | The pimeloyl-CoA synthetase BioW defines a new fold for adenylate-forming enzymes.
Nat. Chem. Biol., 13, 2017
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5TU6
 | | 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
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5TU4
 | | 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
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5U57
 | | 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
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6C0G
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6C0H
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5U55
 | | Psf4 in complex with Mn2+ and (S)-2-HPP | | Descriptor: | (S)-2-HYDROXYPROPYLPHOSPHONIC ACID, (S)-2-hydroxypropylphosphonic acid epoxidase, MANGANESE (II) 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 (2.45 Å) | | Cite: | Characterization of Two Late-Stage Enzymes Involved in Fosfomycin Biosynthesis in Pseudomonads.
ACS Chem. Biol., 12, 2017
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5TU5
 | | PagF prenyltransferase with Tyr-Tyr-Tyr and DMSPP | | Descriptor: | DIMETHYLALLYL S-THIOLODIPHOSPHATE, MAGNESIUM ION, 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 (1.9 Å) | | Cite: | Molecular basis for the broad substrate selectivity of a peptide prenyltransferase.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5UW5
 | | 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
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5UW7
 | | 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
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5UW6
 | | 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
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5UW3
 | | 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
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5UZW
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5TV5
 | | 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
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5TV8
 | | A. aeolicus BioW with AMP-CPP and pimelate | | Descriptor: | 6-carboxyhexanoate--CoA ligase, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, ... | | 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 (2.55 Å) | | Cite: | The pimeloyl-CoA synthetase BioW defines a new fold for adenylate-forming enzymes.
Nat. Chem. Biol., 13, 2017
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5W99
 | | 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
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5TV6
 | | 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
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5W98
 | | 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
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