7W1W
| NADPH-bound AKR4C17 mutant F291D | Descriptor: | AKR4-2, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Li, H, Yang, Y, Hu, Y, Chen, C.-C, Huang, J.-W, Min, J, Dai, L, Guo, R.-T. | Deposit date: | 2021-11-21 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structural analysis and engineering of aldo-keto reductase from glyphosate-resistant Echinochloa colona J Hazard Mater, 436, 2022
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7W5I
| The structure of trichobrasilenol synthase TaTC6 in complex with FPP-1 | Descriptor: | FARNESYL DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R. | Deposit date: | 2021-11-30 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structural insights into the cyclization of unusual brasilane-type sesquiterpenes. Int.J.Biol.Macromol., 209, 2022
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7W5J
| The structure of trichobrasilenol synthase TaTC6 in complex with FPP-2 | Descriptor: | FARNESYL, FARNESYL DIPHOSPHATE, GLYCEROL, ... | Authors: | Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R. | Deposit date: | 2021-11-30 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural insights into the cyclization of unusual brasilane-type sesquiterpenes. Int.J.Biol.Macromol., 209, 2022
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7W5H
| The structure of trichobrasilenol synthase TaTC6 in complex with FsPP | Descriptor: | GLYCEROL, MAGNESIUM ION, MALONATE ION, ... | Authors: | Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R. | Deposit date: | 2021-11-30 | Release date: | 2022-08-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural insights into the cyclization of unusual brasilane-type sesquiterpenes. Int.J.Biol.Macromol., 209, 2022
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7XTW
| The structure of IsPETase in complex with MHET | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-hydroxyethyloxycarbonyl)benzoic acid, GLYCEROL, ... | Authors: | Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-05-18 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases. Nat Commun, 14, 2023
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7XTR
| The apo structure of the engineered TfCut | Descriptor: | GLYCEROL, LITHIUM ION, SULFATE ION, ... | Authors: | Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-05-18 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases. Nat Commun, 14, 2023
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7XTU
| The structure of TfCut S130A | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-05-18 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases. Nat Commun, 14, 2023
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7XTS
| The apo structure of the engineered TfCut S130A | Descriptor: | SODIUM ION, alpha/beta hydrolase | Authors: | Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-05-18 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases. Nat Commun, 14, 2023
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7XTV
| The structure of MHET-bound TfCut S130A | Descriptor: | 4-(2-hydroxyethyloxycarbonyl)benzoic acid, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-05-18 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases. Nat Commun, 14, 2023
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7XTT
| The structure of engineered TfCut S130A in complex with MHET | Descriptor: | 1,2-ETHANEDIOL, 4-(2-hydroxyethyloxycarbonyl)benzoic acid, SODIUM ION, ... | Authors: | Yang, Y, Jiang, P.C, Huang, J.W, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-05-18 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases. Nat Commun, 14, 2023
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7Y9K
| Crystal structure of P450 BM3-TMK from Bacillus megaterium | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Wang, Q, Zhang, L.L, Liu, W.D, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-25 | Release date: | 2023-06-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Engineering of a P450-based Kemp eliminase with a new mechanism Chinese J Catal, 47, 2023
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7Y9J
| Crystal structure of P450 BM3-TMK from Bacillus megaterium in complex with 5-nitro-1,2-benzisoxazole | Descriptor: | 5-nitro-1,2-benzoxazole, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Wang, Q, Zhang, L.L, Liu, W.D, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-24 | Release date: | 2023-06-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Engineering of a P450-based Kemp eliminase with a new mechanism Chinese J Catal, 47, 2023
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7Y8G
| Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with an Inhibitor 30a and GRIP Peptide | Descriptor: | DI(HYDROXYETHYL)ETHER, Estrogen receptor, Grip peptide, ... | Authors: | Min, J, Hu, H.B, Yang, Y, Dong, C.E, Zhou, H.B, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-23 | Release date: | 2023-04-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structure-guided identification of novel dual-targeting estrogen receptor alpha degraders with aromatase inhibitory activity for the treatment of endocrine-resistant breast cancer. Eur.J.Med.Chem., 253, 2023
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7Y8F
| Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with an Inhibitor 30o and GRIP Peptide | Descriptor: | DI(HYDROXYETHYL)ETHER, Estrogen receptor, Grip peptide, ... | Authors: | Min, J, Hu, H.B, Yang, Y, Dong, C.E, Zhou, H.B, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-23 | Release date: | 2023-04-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structure-guided identification of novel dual-targeting estrogen receptor alpha degraders with aromatase inhibitory activity for the treatment of endocrine-resistant breast cancer. Eur.J.Med.Chem., 253, 2023
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7Y98
| Crystal structure of CYP109B4 from Bacillus Sonorensis in complex with Testosterone | Descriptor: | Cytochrome P450 monooxygenase YjiB, PROTOPORPHYRIN IX CONTAINING FE, TESTOSTERONE | Authors: | Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-24 | Release date: | 2023-05-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family Acs Catalysis, 13, 2023
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7Y97
| Crystal structure of CYP109B4 from Bacillus Sonorensis | Descriptor: | Cytochrome P450 monooxygenase YjiB, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-24 | Release date: | 2023-05-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family Acs Catalysis, 13, 2023
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7Y9O
| Crystal structure of a CYP109B4 variant from Bacillus sonorensis | Descriptor: | CALCIUM ION, Cytochrome P450 monooxygenase YjiB, IMIDAZOLE, ... | Authors: | Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-25 | Release date: | 2023-05-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family Acs Catalysis, 13, 2023
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7Y9G
| Crystal structure of diterpene synthase VenA from Streptomyces venezuelae ATCC 15439 in complex with pyrophosphate | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Zhang, L.L, Xie, Z.Z, Huang, J.-W, Hu, Y.C, Liu, W.D, Yang, Y, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-24 | Release date: | 2023-06-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Molecular insights into the catalytic promiscuity of a bacterial diterpene synthase. Nat Commun, 14, 2023
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7Y9H
| Crystal structure of diterpene synthase VenA from Streptomyces venezuelae ATCC 15439 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Diterpene synthase VenA, ... | Authors: | Zhang, L.L, Xie, Z.Z, Huang, J.-W, Hu, Y.C, Liu, W.D, Yang, Y, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-24 | Release date: | 2023-06-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Molecular insights into the catalytic promiscuity of a bacterial diterpene synthase. Nat Commun, 14, 2023
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3VOP
| Structure of Vaccinia virus A27 | Descriptor: | DI(HYDROXYETHYL)ETHER, Protein A27 | Authors: | Chang, T.H, Ko, T.P, Hsieh, F.L, Wang, A.H.J. | Deposit date: | 2012-01-31 | Release date: | 2013-03-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of vaccinia viral A27 protein reveals a novel structure critical for its function and complex formation with A26 protein. Plos Pathog., 9, 2013
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3W52
| Zinc-dependent bifunctional nuclease | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENINE, Endonuclease 2, ... | Authors: | Chou, T.L, Ko, T.P, Ko, C.Y, Shaw, J.F, Wang, A.H.J. | Deposit date: | 2013-01-18 | Release date: | 2013-04-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Mechanistic insights to catalysis by a zinc-dependent bi-functional nuclease from Arabidopsis thaliana BIOCATAL AGRIC BIOTECHNOL, 2013
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3X2F
| A Thermophilic S-Adenosylhomocysteine Hydrolase | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Adenosylhomocysteinase, NITRATE ION, ... | Authors: | Zheng, Y, Ko, T.P, Huang, C.H. | Deposit date: | 2014-12-21 | Release date: | 2015-05-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Crystal structures of S-adenosylhomocysteine hydrolase from the thermophilic bacterium Thermotoga maritima. J.Struct.Biol., 190, 2015
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3X2E
| A thermophilic hydrolase | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Adenosylhomocysteinase | Authors: | Zheng, Y, Ko, T.P, Huang, C.H. | Deposit date: | 2014-12-21 | Release date: | 2015-05-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Crystal structures of S-adenosylhomocysteine hydrolase from the thermophilic bacterium Thermotoga maritima. J.Struct.Biol., 190, 2015
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7W1N
| Complex structure of a leaf-branch compost cutinase variant LCC ICCG_KRP | Descriptor: | 1,2-ETHANEDIOL, BICINE, Leaf-branch compost cutinase | Authors: | Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T. | Deposit date: | 2021-11-19 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy. Acs Catalysis, 12, 2022
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7VVC
| Crystal structure of inactive mutant of leaf-branch compost cutinase variant | Descriptor: | ACETATE ION, ACETIC ACID, CALCIUM ION, ... | Authors: | Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T. | Deposit date: | 2021-11-05 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy. Acs Catalysis, 12, 2022
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