8F7G
| The condensation domain of surfactin A synthetase C in space group P212121 | Descriptor: | GLYCEROL, Surfactin synthetase | Authors: | Frota, N.F, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, T.M. | Deposit date: | 2022-11-18 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | High-throughput reprogramming of an NRPS condensation domain. Nat.Chem.Biol., 2024
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8F7H
| The condensation domain of surfactin A synthetase C variant 18b in space group P212121 | Descriptor: | GLYCEROL, Surfactin synthetase | Authors: | Frota, N.F, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, M. | Deposit date: | 2022-11-18 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | High-throughput reprogramming of an NRPS condensation domain. Nat.Chem.Biol., 2024
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8F7I
| The condensation domain of surfactin A synthetase C variant 18b in space group P43212 | Descriptor: | GLYCEROL, Surfactin synthetase | Authors: | Frota, N.F, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, M. | Deposit date: | 2022-11-18 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | High-throughput reprogramming of an NRPS condensation domain. Nat.Chem.Biol., 2024
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6FDB
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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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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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6TFA
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6TU6
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3UD6
| Structural analyses of covalent enzyme-substrate analogue complexes reveal strengths and limitations of de novo enzyme design | Descriptor: | 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE, RETRO-ALDOLASE, SULFATE ION | Authors: | Baker, D, Stoddard, B.L, Althoff, E.A, Wang, L, Jiang, L, Moody, J, Bolduc, J, Lassila, J, Hilvert, D. | Deposit date: | 2011-10-27 | Release date: | 2011-11-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.091 Å) | Cite: | Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design. J.Mol.Biol., 415, 2012
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3ZOP
| Arg90Cit chorismate mutase of Bacillus subtilis at 1.6 A resolution | Descriptor: | CHORISMATE MUTASE AROH | Authors: | Burschowsky, D, vanEerde, A, Okvist, M, Kienhofer, A, Kast, P, Hilvert, D, Krengel, U. | Deposit date: | 2013-02-22 | Release date: | 2014-04-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Electrostatic Transition State Stabilization Rather Than Reactant Destabilization Provides the Chemical Basis for Efficient Chorismate Mutase Catalysis. Proc.Natl.Acad.Sci.USA, 111, 2014
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3ZP4
| Arg90Cit chorismate mutase of Bacillus subtilis in complex with a transition state analog | Descriptor: | 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID, CHORISMATE MUTASE AROH | Authors: | Burschowsky, D, vanEerde, A, Okvist, M, Kienhofer, A, Kast, P, Hilvert, D, Krengel, U. | Deposit date: | 2013-02-26 | Release date: | 2014-04-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Electrostatic Transition State Stabilization Rather Than Reactant Destabilization Provides the Chemical Basis for Efficient Chorismate Mutase Catalysis. Proc.Natl.Acad.Sci.USA, 111, 2014
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3ZP7
| Arg90Cit chorismate mutase of Bacillus subtilis in complex with chorismate and prephenate | Descriptor: | (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid, CHORISMATE MUTASE AROH, PREPHENIC ACID | Authors: | Burschowsky, D, vanEerde, A, Okvist, M, Kienhofer, A, Kast, P, Hilvert, D, Krengel, U. | Deposit date: | 2013-02-26 | Release date: | 2014-04-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Electrostatic Transition State Stabilization Rather Than Reactant Destabilization Provides the Chemical Basis for Efficient Chorismate Mutase Catalysis. Proc.Natl.Acad.Sci.USA, 111, 2014
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3ZO8
| Wild-type chorismate mutase of Bacillus subtilis at 1.6 A resolution | Descriptor: | CHORISMATE MUTASE AROH | Authors: | Burschowsky, D, vanEerde, A, Okvist, M, Kienhofer, A, Kast, P, Hilvert, D, Krengel, U. | Deposit date: | 2013-02-20 | Release date: | 2014-04-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Electrostatic Transition State Stabilization Rather Than Reactant Destabilization Provides the Chemical Basis for Efficient Chorismate Mutase Catalysis. Proc.Natl.Acad.Sci.USA, 111, 2014
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4A2R
| Structure of the engineered retro-aldolase RA95.5-5 | Descriptor: | 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE, INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE | Authors: | Giger, L, Caner, S, Kast, P, Baker, D, Ban, N, Hilvert, D. | Deposit date: | 2011-09-28 | Release date: | 2012-11-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.302 Å) | Cite: | Evolution of a designed retro-aldolase leads to complete active site remodeling. Nat.Chem.Biol., 9, 2013
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7K4X
| Crystal structure of Kemp Eliminase HG3.7 in complex with the transition state analog 6-nitrobenzotriazole | Descriptor: | 6-NITROBENZOTRIAZOLE, ACETATE ION, Endo-1,4-beta-xylanase, ... | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | Deposit date: | 2020-09-16 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis. Science, 370, 2020
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7K4Y
| Crystal structure of Kemp Eliminase HG3.17 at 343 K | Descriptor: | Endo-1,4-beta-xylanase | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | Deposit date: | 2020-09-16 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis. Science, 370, 2020
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7K4Z
| Crystal structure of Kemp Eliminase HG3.17 in complex with the transition state analog 6-nitrobenzotriazole | Descriptor: | 6-NITROBENZOTRIAZOLE, Endo-1,4-beta-xylanase, PENTAETHYLENE GLYCOL | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | Deposit date: | 2020-09-16 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis. Science, 370, 2020
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7K4Q
| Crystal structure of Kemp Eliminase HG3 in complex with the transition state analog 6-nitrobenzotriazole | Descriptor: | 6-NITROBENZOTRIAZOLE, Endo-1,4-beta-xylanase, SULFATE ION | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | Deposit date: | 2020-09-16 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis. Science, 370, 2020
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7K4V
| Crystal structure of Kemp Eliminase HG3.17 | Descriptor: | Endo-1,4-beta-xylanase, TETRAETHYLENE GLYCOL | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | Deposit date: | 2020-09-16 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis. Science, 370, 2020
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7K4U
| Crystal structure of Kemp Eliminase HG3 K50Q in complex with the transition state analog 6-nitrobenzotriazole | Descriptor: | 6-NITROBENZOTRIAZOLE, Endo-1,4-beta-xylanase | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | Deposit date: | 2020-09-16 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis. Science, 370, 2020
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4A29
| Structure of the engineered retro-aldolase RA95.0 | Descriptor: | 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE, D-MALATE, ENGINEERED RETRO-ALDOL ENZYME RA95.0 | Authors: | Giger, L, Caner, S, Kast, P, Baker, D, Ban, N, Hilvert, D. | Deposit date: | 2011-09-23 | Release date: | 2012-11-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Evolution of a designed retro-aldolase leads to complete active site remodeling. Nat.Chem.Biol., 9, 2013
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