9IM9
 
 | | CTB10-M4-(S)-1d complex | | Descriptor: | (3~{S})-1',1'-bis(chloranyl)-5-methyl-spiro[1~{H}-indole-3,2'-cyclopropane]-2-one, CTB10, GLYCEROL, ... | | Authors: | Fu, K, Rao, Y.J. | | Deposit date: | 2024-07-02 | | Release date: | 2025-05-14 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Light-Driven Deracemization by a Designed Photoenzyme.
J.Am.Chem.Soc., 147, 2025
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9ILO
 | | Crystal structure of CTB10-M4 | | Descriptor: | CTB10 | | Authors: | Fu, K, Rao, Y.J. | | Deposit date: | 2024-07-01 | | Release date: | 2025-05-14 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Light-Driven Deracemization by a Designed Photoenzyme.
J.Am.Chem.Soc., 147, 2025
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9IKU
 | | Crystal structure of Se-Met CTB10 | | Descriptor: | CTB10 | | Authors: | Fu, K, Rao, Y.J. | | Deposit date: | 2024-06-29 | | Release date: | 2025-05-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Light-Driven Deracemization by a Designed Photoenzyme.
J.Am.Chem.Soc., 147, 2025
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9IPR
 | | Crystal structure of CTB10-M1 | | Descriptor: | CTB10 | | Authors: | Fu, K, Rao, Y.J. | | Deposit date: | 2024-07-11 | | Release date: | 2025-05-14 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Light-Driven Deracemization by a Designed Photoenzyme.
J.Am.Chem.Soc., 147, 2025
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7YB1
 | | Crystal Structure of anthrol reductase (CbAR) in complex with NADP+ | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Versicolorin reductase | | Authors: | Hou, X.D, Rao, Y.J. | | Deposit date: | 2022-06-28 | | Release date: | 2023-06-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural analysis of an anthrol reductase inspires enantioselective synthesis of enantiopure hydroxycycloketones and beta-halohydrins.
Nat Commun, 14, 2023
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7YB2
 | | Crystal Structure of anthrol reductase (CbAR) in complex with NADP+ and emodin | | Descriptor: | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Hou, X.D, Rao, Y.J. | | Deposit date: | 2022-06-28 | | Release date: | 2023-06-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural analysis of an anthrol reductase inspires enantioselective synthesis of enantiopure hydroxycycloketones and beta-halohydrins.
Nat Commun, 14, 2023
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7Y3Y
 | | Crystal structure of BTG13 mutant (T299V) | | Descriptor: | FE (III) ION, GLYCEROL, questin oxidase BTG13 | | Authors: | Hou, X.D, Fu, K, Rao, Y.J. | | Deposit date: | 2022-06-13 | | Release date: | 2022-09-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Discovery of the Biosynthetic Pathway of Beticolin 1 Reveals a Novel Non-Heme Iron-Dependent Oxygenase for Anthraquinone Ring Cleavage.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7Y3X
 | | Crystal structure of BTG13 mutant (H58F) | | Descriptor: | FE (III) ION, GLYCEROL, Questin oxidase | | Authors: | Hou, X.D, Rao, Y.J. | | Deposit date: | 2022-06-13 | | Release date: | 2022-09-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Discovery of the Biosynthetic Pathway of Beticolin 1 Reveals a Novel Non-Heme Iron-Dependent Oxygenase for Anthraquinone Ring Cleavage.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7Y3W
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5ZED
 | | Crystal structure of Kluyveromyces polyspora ADH (KpADH) mutant (E214V/T215S) | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Uncharacterized protein ADH | | Authors: | Wang, Y, Zhou, J.Y, Hou, X.D, Xu, G.C, Wu, L, Rao, Y.J, ZHou, J.H, Ni, Y. | | Deposit date: | 2018-02-27 | | Release date: | 2019-01-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.199 Å) | | Cite: | Structural Insight into Enantioselective Inversion of an Alcohol Dehydrogenase Reveals a "Polar Gate" in Stereorecognition of Diaryl Ketones.
J. Am. Chem. Soc., 140, 2018
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5Z2X
 | | Structure of Alcohol dehydrogenase from Kluyveromyces polyspora(KpADH) | | Descriptor: | 1,2-ETHANEDIOL, Alcohol dehydrogenase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Wang, Y, Zhou, J.Y, Hou, X.D, Xu, G.C, Wu, L, Rao, Y.J, ZHou, J.H, Ni, Y. | | Deposit date: | 2018-01-04 | | Release date: | 2019-01-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural Insight into Enantioselective Inversion of an Alcohol Dehydrogenase Reveals a "Polar Gate" in Stereorecognition of Diaryl Ketones.
J. Am. Chem. Soc., 140, 2018
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5ZEC
 | | Crystal structure of Kluyveromyces polyspora ADH (KpADH) mutant (Q136N/F161V/S196G/E214G/S237C) | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ETHANOL, ... | | Authors: | Wang, Y, ZHou, J.Y, Hou, X.D, Xu, G.C, Rao, Y.J, Wu, L, Zhou, J.H, Ni, Y. | | Deposit date: | 2018-02-27 | | Release date: | 2019-01-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.779 Å) | | Cite: | Structural Insight into Enantioselective Inversion of an Alcohol Dehydrogenase Reveals a "Polar Gate" in Stereorecognition of Diaryl Ketones.
J. Am. Chem. Soc., 140, 2018
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7VM0
 | | Crystal structure of YojK from B.subtilis in complex with UDP | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Glycosyl transferase family 1, ... | | Authors: | Hou, X.D, Guo, B.D, Rao, Y.J. | | Deposit date: | 2021-10-06 | | Release date: | 2022-10-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Highly efficient production of rebaudioside D enabled by structure-guided engineering of bacterial glycosyltransferase YojK.
Front Bioeng Biotechnol, 10, 2022
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7W8L
 | | Crystal Structure of Co-type nitrile hydratase mutant from Pseudonocardia thermophila - M46R | | Descriptor: | COBALT (II) ION, Cobalt-containing nitrile hydratase subunit beta, Nitrile hydratase | | Authors: | Ma, D, Cheng, Z.Y, Hou, X.D, Peplowski, L, Lai, Q.P, Fu, K, Yin, D.J, Rao, Y.J, Zhou, Z.M. | | Deposit date: | 2021-12-08 | | Release date: | 2022-08-24 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Insight into the broadened substrate scope of nitrile hydratase by static and dynamic structure analysis.
Chem Sci, 13, 2022
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7W8M
 | | Crystal structure of Co-type nitrile hydratase mutant from Pseudomonas thermophila - A129R | | Descriptor: | COBALT (II) ION, Cobalt-containing nitrile hydratase subunit beta, Nitrile hydratase | | Authors: | Ma, D, Cheng, Z.Y, Hou, X.D, Peplowski, L, Lai, Q.P, Fu, K, Yin, D.J, Rao, Y.J, Zhou, Z.M. | | Deposit date: | 2021-12-08 | | Release date: | 2022-08-24 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Insight into the broadened substrate scope of nitrile hydratase by static and dynamic structure analysis.
Chem Sci, 13, 2022
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7W5L
 | | The crystal structure of the oxidized form of Gluconobacter oxydans WSH-004 SNDH | | Descriptor: | L-sorbosone dehydrogenase, NAD(P) dependent | | Authors: | Li, D, Hou, X.D, Rao, Y.J, Zhou, J.W, Chen, J. | | Deposit date: | 2021-11-30 | | Release date: | 2023-01-18 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Insight into the Catalytic Mechanisms of an L-Sorbosone Dehydrogenase.
Adv Sci, 10, 2023
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7W5N
 | | The crystal structure of the reduced form of Gluconobacter oxydans WSH-004 SNDH | | Descriptor: | L-sorbosone dehydrogenase, NAD(P) dependent, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Li, D, Hou, X.D, Rao, Y.J, Yin, D.J, Zhou, J.W, Chen, J. | | Deposit date: | 2021-11-30 | | Release date: | 2023-03-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.988 Å) | | Cite: | Structural Insight into the Catalytic Mechanisms of an L-Sorbosone Dehydrogenase.
Adv Sci, 10, 2023
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7W5K
 | | The C296A mutant of L-sorbosone dehydrogenase (SNDH) from Gluconobacter Oxydans WSH-004 | | Descriptor: | L-sorbosone dehydrogenase, NAD(P) dependent, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Li, D, Hou, X.D, Rao, Y.J, Zhou, J.W, Chen, J. | | Deposit date: | 2021-11-30 | | Release date: | 2023-03-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Structural Insight into the Catalytic Mechanisms of an L-Sorbosone Dehydrogenase.
Adv Sci, 10, 2023
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8H5D
 | | Crystal structure of YojK mutant in complex with UDP | | Descriptor: | GLYCEROL, Glycosyltransferase, URIDINE-5'-DIPHOSPHATE | | Authors: | Hou, X.D, Yang, S, Yin, D.J, Rao, Y.J. | | Deposit date: | 2022-10-12 | | Release date: | 2023-10-18 | | Last modified: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Improving the thermostability of glycosyltransferase YojK by targeting mutagenesis for highly efficient biosynthesis of rebaudioside D.
Mol Catal, 535, 2023
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6IX2
 | | Structure of the A214C/A250I mutant of an epoxide hydrolase from Aspergillus usamii E001 (AuEH2) at 1.48 Angstroms resolution | | Descriptor: | GLYCEROL, Microsomal epoxide hyddrolase | | Authors: | Hu, D, Hu, B.C, Hou, X.D, Rao, Y.J, Wu, M.C. | | Deposit date: | 2018-12-09 | | Release date: | 2019-12-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.478 Å) | | Cite: | Structure-Guided Regulation in the Enantioselectivity of an Epoxide Hydrolase to Produce Enantiomeric Monosubstituted Epoxides and Vicinal Diols via Kinetic Resolution.
Org.Lett., 24, 2022
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6KZS
 | | Crystal structure of cytochrome P450mel 107F1 in complex with heme and imidazole | | Descriptor: | Cytochrome P-450, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Hou, X.D, Rao, Y.J, Icyishaka, P, Li, C.X, Lou, J.L. | | Deposit date: | 2019-09-25 | | Release date: | 2020-09-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | Crystallization and X-ray analysis of cytochrome P450mel 107F1 with biaryl coupling reactivity
To Be Published
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6KZT
 | | Crystal structure of cytochrome P450mel 107F1 with biaryl coupling reactivity | | Descriptor: | Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Hou, X.D, Rao, Y.J, Icyishaka, P, Li, C.X, Lou, J.L. | | Deposit date: | 2019-09-25 | | Release date: | 2020-09-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Crystallization and X-ray analysis of cytochrome P450mel 107F1 with biaryl coupling reactivity
To Be Published
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8I6N
 | | Crystal structure of Co-type nitrile hydratase mutant from Pseudomonas thermophila - L6T | | Descriptor: | COBALT (II) ION, Cobalt-containing nitrile hydratase subunit alpha, Cobalt-containing nitrile hydratase subunit beta | | Authors: | Ma, D, Cheng, Z.Y, Lai, Q.P, Hou, X.D, Yin, D.J, Rao, Y.J, Zhou, Z.M. | | Deposit date: | 2023-01-29 | | Release date: | 2024-02-14 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of Co-type nitrile hydratase mutant L6T from Pseudomonas thermophila at 2.2 Angstroms resolution.
To Be Published
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8HFK
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8HFJ
 | | Crystal Structure of CbAR mutant (H162F) in complex with NADP+ and a bulky 1,3-cyclodiketone | | Descriptor: | 2-methyl-2-[(4-methylphenyl)methyl]cyclopentane-1,3-dione, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Versicolorin reductase | | Authors: | Hou, X.D, Yin, D.J, Rao, Y.J. | | Deposit date: | 2022-11-10 | | Release date: | 2023-06-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural analysis of an anthrol reductase inspires enantioselective synthesis of enantiopure hydroxycycloketones and beta-halohydrins.
Nat Commun, 14, 2023
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