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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5W8D
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4ETW
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![BU of 4etw by Molmil](/molmil-images/mine/4etw) | Structure of the Enzyme-ACP Substrate Gatekeeper Complex Required for Biotin Synthesis | Descriptor: | Acyl carrier protein, Pimelyl-[acyl-carrier protein] methyl ester esterase, methyl 7-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-7-oxoheptanoate | Authors: | Agarwal, V, Nair, S.K. | Deposit date: | 2012-04-24 | Release date: | 2012-10-17 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure of the enzyme-acyl carrier protein (ACP) substrate gatekeeper complex required for biotin synthesis. Proc.Natl.Acad.Sci.USA, 109, 2012
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5UAO
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![BU of 5uao by Molmil](/molmil-images/mine/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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5WA4
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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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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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4Q86
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![BU of 4q86 by Molmil](/molmil-images/mine/4q86) | YcaO with AMP Bound | Descriptor: | ADENOSINE MONOPHOSPHATE, 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 (2.25 Å) | Cite: | Discovery of a new ATP-binding motif involved in peptidic azoline biosynthesis. Nat.Chem.Biol., 10, 2014
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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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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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2OKV
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![BU of 2okv by Molmil](/molmil-images/mine/2okv) | c-Myc DNA Unwinding Element Binding Protein | Descriptor: | MAGNESIUM ION, Probable D-tyrosyl-tRNA(Tyr) deacylase 1 | Authors: | Bae, B, Nair, S.K. | Deposit date: | 2007-01-17 | Release date: | 2007-01-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and Function of the c-myc DNA-unwinding Element-binding Protein DUE-B. J.Biol.Chem., 282, 2007
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5WA3
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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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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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5U57
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![BU of 5u57 by Molmil](/molmil-images/mine/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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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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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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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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5UW6
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![BU of 5uw6 by Molmil](/molmil-images/mine/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
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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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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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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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4QEC
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![BU of 4qec by Molmil](/molmil-images/mine/4qec) | ElxO with NADP Bound | Descriptor: | ElxO, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION | Authors: | Garg, N, Nair, S.K. | Deposit date: | 2014-05-15 | Release date: | 2014-07-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Substrate Specificity of the Lanthipeptide Peptidase ElxP and the Oxidoreductase ElxO. Acs Chem.Biol., 9, 2014
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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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