5U55
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![BU of 5u55 by Molmil](/molmil-images/mine/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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2NVE
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![BU of 2nve by Molmil](/molmil-images/mine/2nve) | Soluble domain of Rieske Iron Sulfur Protein | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, Ubiquinol-cytochrome c reductase iron-sulfur subunit | Authors: | Kolling, D.K, Brunzelle, J.S, Lhee, S, Crofts, A.R, Nair, S.K. | Deposit date: | 2006-11-12 | Release date: | 2007-02-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Atomic resolution structures of rieske iron-sulfur protein: role of hydrogen bonds in tuning the redox potential of iron-sulfur clusters. Structure, 15, 2007
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2NVG
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![BU of 2nvg by Molmil](/molmil-images/mine/2nvg) | Soluble domain of Rieske Iron Sulfur protein. | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, Ubiquinol-cytochrome c reductase iron-sulfur subunit | Authors: | Kolling, D, Brunzelle, J, Lhee, S, Crofts, A.R, Nair, S.K. | Deposit date: | 2006-11-12 | Release date: | 2007-02-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Atomic resolution structures of rieske iron-sulfur protein: role of hydrogen bonds in tuning the redox potential of iron-sulfur clusters. Structure, 15, 2007
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5W8E
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![BU of 5w8e by Molmil](/molmil-images/mine/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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5UW5
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![BU of 5uw5 by Molmil](/molmil-images/mine/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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5UY9
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![BU of 5uy9 by Molmil](/molmil-images/mine/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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6C0H
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![BU of 6c0h by Molmil](/molmil-images/mine/6c0h) | |
6C0G
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5UW3
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![BU of 5uw3 by Molmil](/molmil-images/mine/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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5TV8
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![BU of 5tv8 by Molmil](/molmil-images/mine/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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5TVA
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![BU of 5tva by Molmil](/molmil-images/mine/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
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![BU of 5tu6 by Molmil](/molmil-images/mine/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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5TV5
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![BU of 5tv5 by Molmil](/molmil-images/mine/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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5TU4
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![BU of 5tu4 by Molmil](/molmil-images/mine/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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5W99
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![BU of 5w99 by Molmil](/molmil-images/mine/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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5W98
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![BU of 5w98 by Molmil](/molmil-images/mine/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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5TU5
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![BU of 5tu5 by Molmil](/molmil-images/mine/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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5UW7
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![BU of 5uw7 by Molmil](/molmil-images/mine/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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4Q85
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![BU of 4q85 by Molmil](/molmil-images/mine/4q85) | YcaO with Non-hydrolyzable ATP (AMPCPP) Bound | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, Ribosomal protein S12 methylthiotransferase accessory factor YcaO | Authors: | Chekan, J.R, Nair, S.K. | Deposit date: | 2014-04-25 | Release date: | 2014-08-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | Discovery of a new ATP-binding motif involved in peptidic azoline biosynthesis. Nat.Chem.Biol., 10, 2014
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5U58
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![BU of 5u58 by Molmil](/molmil-images/mine/5u58) | 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
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5TTY
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![BU of 5tty by Molmil](/molmil-images/mine/5tty) | 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
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5TV6
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![BU of 5tv6 by Molmil](/molmil-images/mine/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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5U5D
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![BU of 5u5d by Molmil](/molmil-images/mine/5u5d) | Psf4 in complex with Mn2+ and (R)-2-HPP | Descriptor: | (S)-2-hydroxypropylphosphonic acid epoxidase, MANGANESE (II) 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 (2.49 Å) | Cite: | Characterization of Two Late-Stage Enzymes Involved in Fosfomycin Biosynthesis in Pseudomonads. ACS Chem. Biol., 12, 2017
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4ETX
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![BU of 4etx by Molmil](/molmil-images/mine/4etx) | |