7Y9K
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![BU of 7y9k by Molmil](/molmil-images/mine/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
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![BU of 7y9j by Molmil](/molmil-images/mine/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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7W5J
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![BU of 7w5j by Molmil](/molmil-images/mine/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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7W1X
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![BU of 7w1x by Molmil](/molmil-images/mine/7w1x) | Crystal structure of AKR4C16 bound with NADPH | Descriptor: | AKR4-1, 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 (1.9 Å) | Cite: | Structural analysis and engineering of aldo-keto reductase from glyphosate-resistant Echinochloa colona J Hazard Mater, 436, 2022
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7W1W
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![BU of 7w1w by Molmil](/molmil-images/mine/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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7XTW
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![BU of 7xtw by Molmil](/molmil-images/mine/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
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![BU of 7xtr by Molmil](/molmil-images/mine/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
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![BU of 7xtu by Molmil](/molmil-images/mine/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
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![BU of 7xts by Molmil](/molmil-images/mine/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
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![BU of 7xtv by Molmil](/molmil-images/mine/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
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![BU of 7xtt by Molmil](/molmil-images/mine/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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7Y8G
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![BU of 7y8g by Molmil](/molmil-images/mine/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
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![BU of 7y8f by Molmil](/molmil-images/mine/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
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![BU of 7y98 by Molmil](/molmil-images/mine/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
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![BU of 7y97 by Molmil](/molmil-images/mine/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
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![BU of 7y9o by Molmil](/molmil-images/mine/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
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![BU of 7y9g by Molmil](/molmil-images/mine/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
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![BU of 7y9h by Molmil](/molmil-images/mine/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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7DWA
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![BU of 7dwa by Molmil](/molmil-images/mine/7dwa) | Structure of a novel beta-mannanase BaMan113A with mannotriose, N236Y mutation | Descriptor: | Endo-beta-1,4-mannanase, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose | Authors: | Liu, W.T, Liu, W.D, Zheng, Y.Y. | Deposit date: | 2021-01-15 | Release date: | 2021-06-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Functional and structural investigation of a novel beta-mannanase BaMan113A from Bacillus sp. N16-5. Int.J.Biol.Macromol., 182, 2021
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7DW8
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![BU of 7dw8 by Molmil](/molmil-images/mine/7dw8) | Structure of a novel beta-mannanase BaMan113A with mannobiose, N236Y mutation. | Descriptor: | Endo-beta-1,4-mannanase, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose | Authors: | Liu, W.T, Liu, W.D, Zheng, Y.Y. | Deposit date: | 2021-01-15 | Release date: | 2021-06-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Functional and structural investigation of a novel beta-mannanase BaMan113A from Bacillus sp. N16-5. Int.J.Biol.Macromol., 182, 2021
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7DVJ
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![BU of 7dvj by Molmil](/molmil-images/mine/7dvj) | Structure of beta-mannanase BaMan113A with mannobiose | Descriptor: | Endo-beta-1,4-mannanase, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose | Authors: | Liu, W.T, Liu, W.D, Zheng, Y.Y. | Deposit date: | 2021-01-13 | Release date: | 2021-06-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Functional and structural investigation of a novel beta-mannanase BaMan113A from Bacillus sp. N16-5. Int.J.Biol.Macromol., 182, 2021
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7DVZ
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![BU of 7dvz by Molmil](/molmil-images/mine/7dvz) | |
7DV7
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![BU of 7dv7 by Molmil](/molmil-images/mine/7dv7) | |
3VOP
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![BU of 3vop by Molmil](/molmil-images/mine/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
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![BU of 3w52 by Molmil](/molmil-images/mine/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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