2DTN
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![BU of 2dtn by Molmil](/molmil-images/mine/2dtn) | Crystal structure of Helicobacter pylori undecaprenyl pyrophosphate synthase complexed with pyrophosphate | Descriptor: | DIPHOSPHATE, undecaprenyl pyrophosphate synthase | Authors: | Guo, R.T, Kuo, C.J, Chen, C.L, Ko, T.P, Liang, P.H, Wang, A.H.-J. | Deposit date: | 2006-07-13 | Release date: | 2007-06-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Biochemical characterization, crystal structure, and inhibitors of Helicobacter pylori undecaprenyl pyrophosphate synthase To be Published
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2JTC
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![BU of 2jtc by Molmil](/molmil-images/mine/2jtc) | 3D structure and backbone dynamics of SPE B | Descriptor: | Streptopain | Authors: | Chuang, W, Wang, C, Houng, H, Chen, C, Wang, P. | Deposit date: | 2007-07-26 | Release date: | 2008-08-26 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure and backbone dynamics of streptopain: insight into diverse substrate specificity. J.Biol.Chem., 284, 2009
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5CUY
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![BU of 5cuy by Molmil](/molmil-images/mine/5cuy) | Crystal structure of Trypanosoma brucei Vacuolar Soluble Pyrophosphatases in apo form | Descriptor: | Acidocalcisomal pyrophosphatase, CITRIC ACID, MAGNESIUM ION | Authors: | Yang, Y.Y, Ko, T.P, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2015-07-25 | Release date: | 2016-03-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of Trypanosoma cruzi protein in complex with ligand Acs Chem.Biol., 2016
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7C1J
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![BU of 7c1j by Molmil](/molmil-images/mine/7c1j) | Crystal structure of the receiver domain of sensor histidine kinase PA1611 (PA1611REC) from Pseudomonas aeruginosa PAO1 with magnesium ion coordinated in the active site cleft | Descriptor: | Histidine kinase, MAGNESIUM ION | Authors: | Chen, S.K, Guan, H.H, Wu, P.H, Lin, L.T, Wu, M.C, Chang, H.Y, Chen, N.C, Lin, C.C, Chuankhayan, P, Huang, Y.C, Lin, P.J, Chen, C.J. | Deposit date: | 2020-05-04 | Release date: | 2020-11-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural insights into the histidine-containing phospho-transfer protein and receiver domain of sensor histidine kinase suggest a complex model in the two-component regulatory system in Pseudomonas aeruginosa Iucrj, 7, 2020
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7EW9
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![BU of 7ew9 by Molmil](/molmil-images/mine/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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7EWA
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![BU of 7ewa by Molmil](/molmil-images/mine/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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7EWB
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![BU of 7ewb by Molmil](/molmil-images/mine/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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7CFW
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![BU of 7cfw by Molmil](/molmil-images/mine/7cfw) | Crystal structure of the receiver domain of sensor histidine kinase PA1611 (PA1611REC) from Pseudomonas aeruginosa PAO1 with calcium ion coordinated in the active site cleft | Descriptor: | CALCIUM ION, Histidine kinase | Authors: | Chen, S.K, Guan, H.H, Wu, P.H, Lin, L.T, Wu, M.C, Chang, H.Y, Chen, N.C, Lin, C.C, Chuankhayan, P, Huang, Y.C, Lin, P.J, Chen, C.J. | Deposit date: | 2020-06-29 | Release date: | 2020-11-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Structural insights into the histidine-containing phospho-transfer protein and receiver domain of sensor histidine kinase suggest a complex model in the two-component regulatory system in Pseudomonas aeruginosa Iucrj, 7, 2020
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4YP1
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![BU of 4yp1 by Molmil](/molmil-images/mine/4yp1) | Misting with CDA | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Stimulator of interferon genes protein | Authors: | Chin, K.H, Chen, C.K, Tu, Z.I, Chou, S.H. | Deposit date: | 2015-03-12 | Release date: | 2015-10-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural Insights into the Distinct Binding Mode of Cyclic Di-AMP with SaCpaA_RCK. Biochemistry, 54, 2015
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5CUX
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![BU of 5cux by Molmil](/molmil-images/mine/5cux) | Crystal structure of N-terminal domain truncated Trypanosoma cruzi Vacuolar Soluble Pyrophosphatases in complex with PPi | Descriptor: | Acidocalcisomal pyrophosphatase, PHOSPHATE ION, PYROPHOSPHATE 2- | Authors: | Liu, W.D, Yang, Y.Y, Ko, T.P, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2015-07-25 | Release date: | 2016-03-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of Trypanosoma cruzi protein in complex with ligand Acs Chem.Biol., 2016
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5CUV
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![BU of 5cuv by Molmil](/molmil-images/mine/5cuv) | Crystal structure of Trypanosoma cruzi Vacuolar Soluble Pyrophosphatases in apo form | Descriptor: | Acidocalcisomal pyrophosphatase, D-MALATE, MAGNESIUM ION | Authors: | Ko, T.P, Yang, Y.Y, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2015-07-25 | Release date: | 2016-03-02 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Crystal structure of Trypanosoma cruzi protein in complex with ligand Acs Chem.Biol., 2016
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8JYE
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![BU of 8jye by Molmil](/molmil-images/mine/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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8JYC
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![BU of 8jyc by Molmil](/molmil-images/mine/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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5CUU
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![BU of 5cuu by Molmil](/molmil-images/mine/5cuu) | Crystal structure of Trypanosoma cruzi Vacuolar Soluble Pyrophosphatases in complex with bisphosphonate inhibitor BPH-1260 | Descriptor: | 1-butyl-3-(2-hydroxy-2,2-diphosphonoethyl)-1H-imidazol-3-ium, Acidocalcisomal pyrophosphatase, D-MALATE, ... | Authors: | Liu, W.D, Yang, Y.Y, Ko, T.P, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2015-07-25 | Release date: | 2016-03-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Crystal structure of Trypanosoma cruzi protein in complex with ligand Acs Chem.Biol., 2016
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3GVZ
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![BU of 3gvz by Molmil](/molmil-images/mine/3gvz) | Crystal structure of the protein CV2077 from Chromobacterium violaceum. Northeast Structural Genomics Consortium Target CvR62 | Descriptor: | Uncharacterized protein CV2077 | Authors: | Forouhar, F, Neely, H, Seetharaman, J, Fang, F, Xiao, R, Cunningham, K, Maglaqui, M, Owens, L, Chen, C.X, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-03-31 | Release date: | 2009-04-14 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of the Protein CV2077 from Chromobacterium violaceum. Northeast Structural Genomics Consortium Target CvR62. To be Published
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7C1I
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![BU of 7c1i by Molmil](/molmil-images/mine/7c1i) | Crystal structure of histidine-containing phosphotransfer protein B (HptB) from Pseudomonas aeruginosa PAO1 | Descriptor: | Histidine kinase | Authors: | Chen, S.K, Guan, H.H, Wu, P.H, Lin, L.T, Wu, M.C, Chang, H.Y, Chen, N.C, Lin, C.C, Chuankhayan, P, Huang, Y.C, Lin, P.J, Chen, C.J. | Deposit date: | 2020-05-04 | Release date: | 2020-11-04 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structural insights into the histidine-containing phospho-transfer protein and receiver domain of sensor histidine kinase suggest a complex model in the two-component regulatory system in Pseudomonas aeruginosa Iucrj, 7, 2020
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3GYX
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![BU of 3gyx by Molmil](/molmil-images/mine/3gyx) | Crystal structure of adenylylsulfate reductase from Desulfovibrio gigas | Descriptor: | Adenylylsulfate Reductase, FLAVIN-ADENINE DINUCLEOTIDE, IRON/SULFUR CLUSTER | Authors: | Chiang, Y.-L, Hsieh, Y.-C, Liu, E.-H, Liu, M.-Y, Chen, C.-J. | Deposit date: | 2009-04-06 | Release date: | 2009-12-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of Adenylylsulfate reductase from Desulfovibrio gigas suggests a potential self-regulation mechanism involving the C terminus of the beta-subunit J.Bacteriol., 191, 2009
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7FIR
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![BU of 7fir by Molmil](/molmil-images/mine/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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7FIQ
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![BU of 7fiq by Molmil](/molmil-images/mine/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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7FIP
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![BU of 7fip by Molmil](/molmil-images/mine/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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7FIS
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![BU of 7fis by Molmil](/molmil-images/mine/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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7F7M
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![BU of 7f7m by Molmil](/molmil-images/mine/7f7m) | AKR4C17 in complex with NADP+ and glyphosate | Descriptor: | AKR4-2, GLYPHOSATE, 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 (2.47 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
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![BU of 7f7l by Molmil](/molmil-images/mine/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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7F7K
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![BU of 7f7k by Molmil](/molmil-images/mine/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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7F7J
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![BU of 7f7j by Molmil](/molmil-images/mine/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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