5DCW
 
 | | Iridoid synthase from Catharanthus roseus - ligand free structure | | Descriptor: | 1,2-ETHANEDIOL, Iridoid synthase | | Authors: | Caputi, L, Kries, H, Stevenson, C.E.M, Kamileen, M.O, Sherden, N.H, Geu-Flores, F, Lawson, D.M, O'Connor, S.E. | | Deposit date: | 2015-08-24 | | Release date: | 2015-10-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural determinants of reductive terpene cyclization in iridoid biosynthesis.
Nat.Chem.Biol., 12, 2016
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5DCU
 | | Iridoid synthase from Catharanthus roseus - ternary complex with NADP+ and triethylene glycol carboxylic acid | | Descriptor: | 1,2-ETHANEDIOL, Iridoid synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Caputi, L, Kries, H, Stevenson, C.E.M, Kamileen, M.O, Sherden, N.H, Geu-Flores, F, Lawson, D.M, O'Connor, S.E. | | Deposit date: | 2015-08-24 | | Release date: | 2015-10-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural determinants of reductive terpene cyclization in iridoid biosynthesis.
Nat.Chem.Biol., 12, 2016
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5DF1
 | | Iridoid synthase from Catharanthus roseus - ternary complex with NADP+ and geranic acid | | Descriptor: | (2E)-3,7-dimethylocta-2,6-dienoic acid, 1,2-ETHANEDIOL, IMIDAZOLE, ... | | Authors: | Caputi, L, Kries, H, Stevenson, C.E.M, Kamileen, M.O, Sherden, N.H, Geu-Flores, F, Lawson, D.M, O'Connor, S.E. | | Deposit date: | 2015-08-26 | | Release date: | 2015-10-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural determinants of reductive terpene cyclization in iridoid biosynthesis.
Nat.Chem.Biol., 12, 2016
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5DCY
 | | Iridoid synthase G150A mutant from Catharanthus roseus - binary complex with NADP+ | | Descriptor: | 1,2-ETHANEDIOL, Iridoid synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Caputi, L, Kries, H, Stevenson, C.E.M, Kamileen, M.O, Sherden, N.H, Geu-Flores, F, Lawson, D.M, O'Connor, S.E. | | Deposit date: | 2015-08-24 | | Release date: | 2015-10-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural determinants of reductive terpene cyclization in iridoid biosynthesis.
Nat.Chem.Biol., 12, 2016
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8P5O
 | | Proline activating adenylation domain of gramicidin S synthetase 2 - GrsB1-Acore | | Descriptor: | Gramicidin S synthase 2 | | Authors: | Stephan, P, Basquin, J, Caputi, L, O'Connor, S.E, Kries, H. | | Deposit date: | 2023-05-24 | | Release date: | 2023-07-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Directed Evolution of Piperazic Acid Incorporation by a Nonribosomal Peptide Synthetase.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7PCN
 | | BurG (holo) in complex with gonyenediol (14), trigonic acid (6) and DMS: Biosynthesis of cyclopropanol rings in bacterial toxins | | Descriptor: | (2R)-2-oxidanyl-2-(1-oxidanylcyclopropyl)ethanoic acid, (METHYLSULFANYL)METHANE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | | Deposit date: | 2021-08-03 | | Release date: | 2022-08-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead.
Nat.Chem., 14, 2022
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7PCT
 | | BurG E232Q mutant (holo) in complex with enol-oxalacetate (15): Biosynthesis of cyclopropanol rings in bacterial toxins | | Descriptor: | (~{Z})-2-oxidanylbut-2-enedioic acid, GLYCEROL, Ketol-acid reductoisomerase, ... | | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | | Deposit date: | 2021-08-04 | | Release date: | 2022-08-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead.
Nat.Chem., 14, 2022
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7PCI
 | | BurG (holo) in complex with hydroxypyruvate-enol (8): Biosynthesis of cyclopropanol rings in bacterial toxins | | Descriptor: | (Z)-2,3-bis(oxidanyl)prop-2-enoic acid, IMIDAZOLE, Ketol-acid reductoisomerase, ... | | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | | Deposit date: | 2021-08-03 | | Release date: | 2022-08-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead.
Nat.Chem., 14, 2022
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7PCE
 | | BurG (apo): Biosynthesis of cyclopropanol rings in bacterial toxins | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Ketol-acid reductoisomerase, PHOSPHATE ION | | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | | Deposit date: | 2021-08-03 | | Release date: | 2022-08-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead.
Nat.Chem., 14, 2022
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7PCL
 | | BurG (holo) in complex with 2-hydroxy-2-(hydroxy(isopropyl)amino)acetate (11): Biosynthesis of cyclopropanolrings in bacterial toxins | | Descriptor: | (2S)-2-oxidanyl-2-[oxidanyl(propan-2-yl)amino]ethanoic acid, Ketol-acid reductoisomerase, MAGNESIUM ION, ... | | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | | Deposit date: | 2021-08-03 | | Release date: | 2022-08-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead.
Nat.Chem., 14, 2022
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7PCO
 | | BurG E232Q mutant (holo) in complex with 2R,3R-2,3-dihydroxy-6-methyl-heptanoate (12): Biosynthesis of cyclopropanol rings in bacterial toxins | | Descriptor: | (2R,3R)-6-methyl-2,3-bis(oxidanyl)heptanoic acid, GLYCEROL, Ketol-acid reductoisomerase, ... | | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | | Deposit date: | 2021-08-03 | | Release date: | 2022-08-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead.
Nat.Chem., 14, 2022
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7PCG
 | | BurG (holo) in complex with cyclopropane-1,1-dicarboxylate (7): Biosynthesis of cyclopropanol rings in bacterial toxins | | Descriptor: | GLYCEROL, Ketol-acid reductoisomerase, MAGNESIUM ION, ... | | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | | Deposit date: | 2021-08-03 | | Release date: | 2022-08-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead.
Nat.Chem., 14, 2022
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7PCC
 | | BurG in complex with Mg2+ and NAD+ (holo): Biosynthesis of cyclopropanol rings in bacterial toxins | | Descriptor: | GLYCEROL, Ketol-acid reductoisomerase, MAGNESIUM ION, ... | | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | | Deposit date: | 2021-08-03 | | Release date: | 2022-08-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead.
Nat.Chem., 14, 2022
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7PCM
 | | BurG (holo) in complex with (Z)-2,3-dihydroxy-6-methyl-hept-2-enoate (13): Biosynthesis of cyclopropanol rings in bacterial toxins | | Descriptor: | (Z)-6-methyl-2,3-bis(oxidanyl)hept-2-enoic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Ketol-acid reductoisomerase, ... | | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | | Deposit date: | 2021-08-03 | | Release date: | 2022-08-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead.
Nat.Chem., 14, 2022
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4BS0
 | | Crystal Structure of Kemp Eliminase HG3.17 E47N,N300D Complexed with Transition State Analog 6-Nitrobenzotriazole | | Descriptor: | 6-NITROBENZOTRIAZOLE, KEMP ELIMINASE HG3.17, SULFATE ION | | Authors: | Blomberg, R, Kries, H, Pinkas, D.M, Mittl, P.R.E, Gruetter, M.G, Privett, H.K, Mayo, S, Hilvert, D. | | Deposit date: | 2013-06-06 | | Release date: | 2013-10-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Precision is Essential for Efficient Catalysis in an Evolved Kemp Eliminase
Nature, 503, 2013
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5N82
 | | Crystal structure of an engineered TycA variant in complex with an beta-Phe-AMP analog | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, Tyrocidine synthase 1, ... | | Authors: | Niquille, D.L, Hansen, D.L, Mori, T, Fercher, D, Kries, H, Hilvert, D. | | Deposit date: | 2017-02-22 | | Release date: | 2017-12-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.708 Å) | | Cite: | Nonribosomal biosynthesis of backbone-modified peptides.
Nat Chem, 10, 2018
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5N81
 | | Crystal structure of an engineered TycA variant in complex with an O-propargyl-beta-Tyr-AMP analog | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, Tyrocidine synthase 1, ... | | Authors: | Niquille, D.L, Hansen, D.A, Mori, T, Fercher, D, Kries, H, Hilvert, D. | | Deposit date: | 2017-02-22 | | Release date: | 2017-12-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Nonribosomal biosynthesis of backbone-modified peptides.
Nat Chem, 10, 2018
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6SRW
 | | Kemp Eliminase HG3.17 mutant Q50F, E47N, N300D Complexed with Transition State Analog 6-Nitrobenzotriazole | | Descriptor: | 6-NITROBENZOTRIAZOLE, GLYCEROL, Kemp Eliminase HG3.17 Q50F | | Authors: | Bloch, J.S, Pinkas, D.M, Hilvert, D. | | Deposit date: | 2019-09-06 | | Release date: | 2020-04-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Contribution of Oxyanion Stabilization to Kemp Eliminase Efficiencyproficiency
Acs Catalysis, 2020
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6SRZ
 | | Kemp Eliminase HG3.17 mutant Q50H, E47N, N300D Complexed with Transition State Analog 6-Nitrobenzotriazole | | Descriptor: | 6-NITROBENZOTRIAZOLE, GLYCEROL, Kemp Eliminase HG3.17 Q50H, ... | | Authors: | Bloch, J.S, Pinkas, D.M, Hilvert, D. | | Deposit date: | 2019-09-06 | | Release date: | 2020-04-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Contribution of Oxyanion Stabilization to Kemp Eliminase Efficiencyproficiency
Acs Catalysis, 2020
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6SS1
 | | Kemp Eliminase HG3.17 mutant Q50A, E47N, N300D Complexed with Transition State Analog 6-Nitrobenzotriazole | | Descriptor: | 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3.17 Q50A, E47N,N300D Complexed with Transition State Analog 6-Nitrobenzotriazole, ... | | Authors: | Bloch, J.S, Pinkas, D.M, Hilvert, D. | | Deposit date: | 2019-09-06 | | Release date: | 2020-04-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Contribution of Oxyanion Stabilization to Kemp Eliminase Efficiencyproficiency
Acs Catalysis, 2020
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6SS3
 | | Kemp Eliminase HG3.17 mutant Q50K, E47N, N300D Complexed with Transition State Analog 6-Nitrobenzotriazole | | Descriptor: | 6-NITROBENZOTRIAZOLE, GLYCEROL, Kemp Eliminase HG3.17 Q50K, ... | | Authors: | Bloch, J.S, Pinkas, D.M, Hilvert, D. | | Deposit date: | 2019-09-06 | | Release date: | 2020-04-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Contribution of Oxyanion Stabilization to Kemp Eliminase Efficiencyproficiency
Acs Catalysis, 2020
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6SRY
 | | Kemp Eliminase HG3.17 mutant Q50S, E47N, N300D Complexed with Transition State Analog 6-Nitrobenzotriazole | | Descriptor: | 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3.17 Q50S, E47N,N300D, ... | | Authors: | Bloch, J.S, Pinkas, D.M, Hilvert, D. | | Deposit date: | 2019-09-06 | | Release date: | 2020-04-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Contribution of Oxyanion Stabilization to Kemp Eliminase Efficiencyproficiency
Acs Catalysis, 2020
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6TU6
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6NW4
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