8JI7
 
 | | Crystal structure of AetD in complex with L-tryptophan and two Fe2+ | | Descriptor: | AetD, FE (II) ION, NICKEL (II) ION, ... | | Authors: | Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2023-05-26 | | Release date: | 2023-11-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | The structural and functional investigation into an unusual nitrile synthase.
Nat Commun, 14, 2023
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8K5I
 | | The structure of SenA in complex with N,N,N-trimethyl-histidine and thioglucose | | Descriptor: | 1-thio-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, FE (III) ION, ... | | Authors: | Liu, M, Yang, Y, Huang, J.-W, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2023-07-21 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural insights into a novel nonheme iron-dependent oxygenase in selenoneine biosynthesis.
Int.J.Biol.Macromol., 256, 2023
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8JMO
 | | Structure of a leaf-branch compost cutinase, ICCG in complex with 4-((4-Hydroxybutoxy)carbonyl)benzoic acid | | Descriptor: | 4-(4-oxidanylbutoxycarbonyl)benzoic acid, CALCIUM ION, Leaf-branch compost cutinase | | Authors: | Yang, Y, Xue, T, Zheng, Y, Cheng, S, Guo, R.-T, Chen, C.-C. | | Deposit date: | 2023-06-05 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Remodeling the polymer-binding cavity to improve the efficacy of PBAT-degrading enzyme.
J Hazard Mater, 464, 2023
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8K5K
 | | The structure of SenA | | Descriptor: | FE (III) ION, GLYCEROL, selenoneine synthase SenA | | Authors: | Liu, M, Yang, Y, Huang, J.-W, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2023-07-21 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structural insights into a novel nonheme iron-dependent oxygenase in selenoneine biosynthesis.
Int.J.Biol.Macromol., 256, 2023
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8JMP
 | | Structure of a leaf-branch compost cutinase, ICCG in complex with 1,4-butanediol terephthalate | | Descriptor: | 4-[4-(4-carboxyphenyl)carbonyloxybutoxycarbonyl]benzoic acid, CALCIUM ION, Leaf-branch compost cutinase | | Authors: | Yang, Y, Xue, T, Zheng, Y, Cheng, S, Guo, R.-T, Chen, C.-C. | | Deposit date: | 2023-06-05 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Remodeling the polymer-binding cavity to improve the efficacy of PBAT-degrading enzyme.
J Hazard Mater, 464, 2023
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8K5J
 | | The structure of SenA in complex with N,N,N-trimethyl-histidine | | Descriptor: | FE (III) ION, GLYCEROL, N,N,N-trimethyl-histidine, ... | | Authors: | Liu, M, Yang, Y, Huang, J.-W, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2023-07-21 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structural insights into a novel nonheme iron-dependent oxygenase in selenoneine biosynthesis.
Int.J.Biol.Macromol., 256, 2023
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2OGD
 | | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-527 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, BETA-MERCAPTOETHANOL, ... | | Authors: | Cao, R, Gao, Y, Robinson, H, Goddard, A, Oldfield, E. | | Deposit date: | 2007-01-05 | | Release date: | 2007-10-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Bisphosphonates: Teaching Old Drugs with New Tricks
TO BE PUBLISHED
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6KV9
 | | MoeE5 in complex with UDP-glucuronic acid and NAD | | Descriptor: | MoeE5, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID | | Authors: | Ko, T.-P, Liu, W, Sun, H, Liu, W, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2019-09-03 | | Release date: | 2019-11-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Structure of an antibiotic-synthesizing UDP-glucuronate 4-epimerase MoeE5 in complex with substrate.
Biochem.Biophys.Res.Commun., 521, 2020
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6KVC
 | | MoeE5 in complex with UDP-glucose and NAD | | Descriptor: | MoeE5, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, URIDINE-5'-DIPHOSPHATE-GLUCOSE | | Authors: | Ko, T.-P, Liu, W, Sun, H, Liu, W, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2019-09-04 | | Release date: | 2019-11-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Structure of an antibiotic-synthesizing UDP-glucuronate 4-epimerase MoeE5 in complex with substrate.
Biochem.Biophys.Res.Commun., 521, 2020
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7EW9
 | | GDP-bound KRAS G12D in complex with TH-Z816 | | Descriptor: | 7-(8-methylnaphthalen-1-yl)-4-[(2~{R})-2-methylpiperazin-1-yl]-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | | Authors: | Shen, P, Yang, Y, Yang, Y, Zhang, L, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2021-05-25 | | Release date: | 2021-12-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | KRAS(G12D) can be targeted by potent inhibitors via formation of salt bridge.
Cell Discov, 8, 2022
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7EWB
 | | GDP-bound KRAS G12D in complex with TH-Z835 | | Descriptor: | 4-[(1~{S},5~{R})-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | | Authors: | Shen, P, Yang, Y, Yang, Y, Zhang, L, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2021-05-25 | | Release date: | 2021-12-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | KRAS(G12D) can be targeted by potent inhibitors via formation of salt bridge.
Cell Discov, 8, 2022
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7EWA
 | | GDP-bound KRAS G12D in complex with TH-Z827 | | Descriptor: | 4-[(1~{R},5~{S})-3,8-diazabicyclo[3.2.1]octan-8-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | | Authors: | Shen, P, Yang, Y, Yang, Y, Zhang, L, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2021-05-25 | | Release date: | 2021-12-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | KRAS(G12D) can be targeted by potent inhibitors via formation of salt bridge.
Cell Discov, 8, 2022
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7FIP
 | | The native structure of beta-1,2-mannobiose phosphorylase from Thermoanaerobacter sp. | | Descriptor: | Beta-1,2-mannobiose phosphorylase, ZINC ION | | Authors: | Dai, L, Chang, Z, Yang, J, Liu, W, Yang, Y, Chen, C.-C, Zhang, L, Huang, J, Sun, Y, Guo, R.-T. | | Deposit date: | 2021-08-01 | | Release date: | 2022-01-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structural investigation of a thermostable 1,2-beta-mannobiose phosphorylase from Thermoanaerobacter sp. X-514.
Biochem.Biophys.Res.Commun., 579, 2021
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7FIQ
 | | The crystal structure of mannose-bound beta-1,2-mannobiose phosphorylase from Thermoanaerobacter sp. | | Descriptor: | Beta-1,2-mannobiose phosphorylase, GLYCEROL, PENTAETHYLENE GLYCOL, ... | | Authors: | Dai, L, Chang, Z, Yang, J, Liu, W, Yang, Y, Chen, C.-C, Zhang, L, Huang, J, Sun, Y, Guo, R.-T. | | Deposit date: | 2021-08-01 | | Release date: | 2022-01-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Structural investigation of a thermostable 1,2-beta-mannobiose phosphorylase from Thermoanaerobacter sp. X-514.
Biochem.Biophys.Res.Commun., 579, 2021
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7FIS
 | | The crystal structure of beta-1,2-mannobiose phosphorylase in complex with mannose 1-phosphate (M1P) | | Descriptor: | 1-O-phosphono-alpha-D-mannopyranose, Beta-1,2-mannobiose phosphorylase, GLYCEROL, ... | | Authors: | Dai, L, Chang, Z, Yang, J, Liu, W, Yang, Y, Chen, C.-C, Zhang, L, Huang, J, Sun, Y, Guo, R.-T. | | Deposit date: | 2021-08-01 | | Release date: | 2022-01-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Structural investigation of a thermostable 1,2-beta-mannobiose phosphorylase from Thermoanaerobacter sp. X-514.
Biochem.Biophys.Res.Commun., 579, 2021
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7FIR
 | | The crystal structure of beta-1,2-mannobiose phosphorylase in complex with 1,4-mannobiose | | Descriptor: | Beta-1,2-mannobiose phosphorylase, PENTAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, ... | | Authors: | Dai, L, Chang, Z, Yang, J, Liu, W, Yang, Y, Chen, C.-C, Zhang, L, Huang, J, Sun, Y, Guo, R.-T. | | Deposit date: | 2021-08-01 | | Release date: | 2022-01-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural investigation of a thermostable 1,2-beta-mannobiose phosphorylase from Thermoanaerobacter sp. X-514.
Biochem.Biophys.Res.Commun., 579, 2021
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7F7J
 | | The crystal structure of AKR4C17 | | Descriptor: | AKR4-2, COBALT (II) ION, SULFATE ION | | Authors: | Li, H, Yang, Y, Hu, Y, Chen, C.-C, Huang, J.-W, Min, J, Dai, L, Guo, R.-T. | | Deposit date: | 2021-06-30 | | Release date: | 2022-07-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structural analysis and engineering of aldo-keto reductase from glyphosate-resistant Echinochloa colona
J Hazard Mater, 436, 2022
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7F7K
 | | Crystal structure of AKR4C17 bound with NADP+ | | Descriptor: | AKR4-2, COBALT (II) ION, NADP 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: | 2021-06-30 | | Release date: | 2022-07-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Structural analysis and engineering of aldo-keto reductase from glyphosate-resistant Echinochloa colona
J Hazard Mater, 436, 2022
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7F7L
 | | Crystal structure of AKR4C17 bound with NADPH | | Descriptor: | AKR4-2, COBALT (II) ION, 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: | 2021-06-30 | | Release date: | 2022-07-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural analysis and engineering of aldo-keto reductase from glyphosate-resistant Echinochloa colona
J Hazard Mater, 436, 2022
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6IHI
 | | Crystal structure of RasADH 3B3/I91V from Ralstonia.sp in complex with NADPH and A6O | | Descriptor: | (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one, Alclohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zhang, H.L, Chen, X, Liu, W.D, Wu, Q.Q, Zhu, D.M. | | Deposit date: | 2018-09-30 | | Release date: | 2019-10-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Efficient reductive desymmetrization of bulky 1,3-cyclodiketones enabled by structure-guided directed evolution of a carbonyl reductase.
Nat Catal, 2, 2019
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6IHH
 | | Crystal structure of RasADH F12 from Ralstonia.sp in complex with NADPH and A6O | | Descriptor: | (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one, Alclohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zhang, H.L, Chen, X, Liu, W.D, Wu, Q.Q, Zhu, D.M. | | Deposit date: | 2018-09-30 | | Release date: | 2019-10-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Efficient reductive desymmetrization of bulky 1,3-cyclodiketones enabled by structure-guided directed evolution of a carbonyl reductase.
Nat Catal, 2, 2019
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6JQX
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6JQW
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8JYC
 | | Crystal Structure of Intracellular B30.2 Domain of BTN3A1 and BTN2A1 in Complex with DMAPP | | Descriptor: | 1,2-ETHANEDIOL, Butyrophilin subfamily 2 member A1, Butyrophilin subfamily 3 member A1, ... | | Authors: | Yuan, L.J, Yang, Y.Y, Li, X, Cai, N.N, Chen, C.-C, Guo, R.-T, Zhang, Y.H. | | Deposit date: | 2023-07-03 | | Release date: | 2023-09-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
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8JYE
 | | Crystal Structure of Intracellular B30.2 Domain of BTN3A1 and BTN2A1 in Complex with HMBPP | | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 1,2-ETHANEDIOL, Butyrophilin subfamily 2 member A1, ... | | Authors: | Yuan, L.J, Yang, Y.Y, Li, X, Cai, N.N, Chen, C.-C, Guo, R.-T, Zhang, Y.H. | | Deposit date: | 2023-07-03 | | Release date: | 2023-09-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
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