7K4T
| Crystal structure of Kemp Eliminase HG3.17 | 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 (0.999 Å) | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis. Science, 370, 2020
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7K4S
| Crystal structure of Kemp Eliminase HG3.7 | Descriptor: | 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 (2 Å) | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis. Science, 370, 2020
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7K4W
| Crystal structure of Kemp Eliminase HG3.17 in the inactive state | Descriptor: | CALCIUM 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 (1.9 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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7CPK
| Xylanase R from Bacillus sp. TAR-1 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Endo-1,4-beta-xylanase A, ... | Authors: | Kuwata, K, Suzuki, M, Takita, T, Nakatani, K, Li, T, Katano, Y, Kojima, K, Mizutani, K, Mikami, B, Yatsunami, R, Nakamura, S, Yasukawa, K. | Deposit date: | 2020-08-07 | Release date: | 2020-09-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Insight into the mechanism of thermostabilization of GH10 xylanase from Bacillus sp. strain TAR-1 by the mutation of S92 to E. Biosci.Biotechnol.Biochem., 85, 2021
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7CPL
| Xylanase R from Bacillus sp. TAR-1 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Endo-1,4-beta-xylanase A, ... | Authors: | Kuwata, K, Suzuki, M, Takita, T, Nakatani, K, Li, T, Katano, Y, Kojima, K, Mizutani, K, Mikami, B, Yatsunami, R, Nakamura, S, Yasukawa, K. | Deposit date: | 2020-08-07 | Release date: | 2020-09-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Insight into the mechanism of thermostabilization of GH10 xylanase from Bacillus sp. strain TAR-1 by the mutation of S92 to E. Biosci.Biotechnol.Biochem., 85, 2021
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5RG5
| Crystal Structure of Kemp Eliminase HG3.3b in unbound state, 277K | Descriptor: | ACETATE ION, Kemp Eliminase HG3, SULFATE ION | Authors: | Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. | Deposit date: | 2020-03-19 | Release date: | 2020-07-22 | Last modified: | 2021-05-12 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico. Nat Commun, 11, 2020
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5RGB
| Crystal Structure of Kemp Eliminase HG3.3b with bound transition state analogue, 277K | Descriptor: | 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3.3b, SULFATE ION | Authors: | Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. | Deposit date: | 2020-03-19 | Release date: | 2020-07-22 | Last modified: | 2021-05-12 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico. Nat Commun, 11, 2020
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5RGD
| Crystal Structure of Kemp Eliminase HG3.14 with bound transition state analogue, 277K | Descriptor: | 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3.14, SULFATE ION | Authors: | Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. | Deposit date: | 2020-03-19 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico. Nat Commun, 11, 2020
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5RG4
| Crystal Structure of Kemp Eliminase HG3 in unbound state, 277K | Descriptor: | ACETATE ION, Kemp Eliminase HG3, SULFATE ION | Authors: | Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. | Deposit date: | 2020-03-19 | Release date: | 2020-07-22 | Last modified: | 2021-05-12 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico. Nat Commun, 11, 2020
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5RGA
| Crystal Structure of Kemp Eliminase HG3 with bound transition state analogue, 277K | Descriptor: | 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3, SULFATE ION | Authors: | Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. | Deposit date: | 2020-03-19 | Release date: | 2020-07-22 | Last modified: | 2021-05-12 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico. Nat Commun, 11, 2020
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5RGC
| Crystal Structure of Kemp Eliminase HG3.7 with bound transition state analogue, 277K | Descriptor: | 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3, SULFATE ION | Authors: | Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. | Deposit date: | 2020-03-19 | Release date: | 2020-07-22 | Last modified: | 2021-05-12 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico. Nat Commun, 11, 2020
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5RG7
| Crystal Structure of Kemp Eliminase HG3.14 in unbound state, 277K | Descriptor: | Kemp Eliminase HG3, SULFATE ION | Authors: | Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. | Deposit date: | 2020-03-19 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico. Nat Commun, 11, 2020
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5RGF
| Crystal Structure of Kemp Eliminase HG4 with bound transition state analogue, 277K | Descriptor: | 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3, SULFATE ION | Authors: | Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. | Deposit date: | 2020-03-19 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico. Nat Commun, 11, 2020
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5RGE
| Crystal Structure of Kemp Eliminase HG3.17 with bound transition state analog, 277K | Descriptor: | 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3 | Authors: | Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. | Deposit date: | 2020-03-19 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico. Nat Commun, 11, 2020
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5RG9
| Crystal Structure of Kemp Eliminase HG4 in unbound state, 277K | Descriptor: | ACETATE ION, Kemp Eliminase HG4, SULFATE ION | Authors: | Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. | Deposit date: | 2020-03-19 | Release date: | 2020-07-22 | Last modified: | 2021-05-12 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico. Nat Commun, 11, 2020
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5RG8
| Crystal Structure of Kemp Eliminase HG3.17 in unbound state, 277K | Descriptor: | ACETATE ION, Kemp Eliminase HG3 | Authors: | Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. | Deposit date: | 2020-03-19 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico. Nat Commun, 11, 2020
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5RG6
| Crystal Structure of Kemp Eliminase HG3.7 in unbound state, 277K | Descriptor: | Kemp Eliminase HG3, SULFATE ION | Authors: | Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. | Deposit date: | 2020-03-19 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico. Nat Commun, 11, 2020
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6Q8N
| GH10 endo-xylanase in complex with xylobiose epoxide inhibitor | Descriptor: | (1~{R},2~{S},4~{S},5~{R})-cyclohexane-1,2,3,4,5-pentol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Davies, G.J, Rowland, R.J, Wu, L, Moroz, O, Blagova, E. | Deposit date: | 2018-12-15 | Release date: | 2019-06-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Dynamic and Functional Profiling of Xylan-Degrading Enzymes inAspergillusSecretomes Using Activity-Based Probes. Acs Cent.Sci., 5, 2019
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6Q8M
| GH10 endo-xylanase | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-xylanase, ... | Authors: | Davies, G.J, Rowland, R.J, Wu, L, Moroz, O, Blagova, E. | Deposit date: | 2018-12-15 | Release date: | 2019-06-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Dynamic and Functional Profiling of Xylan-Degrading Enzymes inAspergillusSecretomes Using Activity-Based Probes. Acs Cent.Sci., 5, 2019
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6D5C
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5XZU
| Crystal structure of GH10 xylanase from Bispora. sp MEY-1 with xylobiose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-xylanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | You, S, Chen, C.C, Tu, T, Guo, R.T, Luo, H.Y, Yao, B. | Deposit date: | 2017-07-14 | Release date: | 2018-05-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Insight into the functional roles of Glu175 in the hyperthermostable xylanase XYL10C-Delta N through structural analysis and site-saturation mutagenesis. Biotechnol Biofuels, 11, 2018
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