6NKI
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![BU of 6nki by Molmil](/molmil-images/mine/6nki) | Structure of PhqB Reductase Domain from Penicillium fellutanum | 分子名称: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NRPS | 著者 | Dan, Q, Newmister, S.A, Smith, J.L, Sherman, D.H. | 登録日 | 2019-01-07 | 公開日 | 2019-10-09 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase. Nat.Chem., 11, 2019
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6NKH
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6VYA
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![BU of 6vya by Molmil](/molmil-images/mine/6vya) | Crystal structure of NotF in complex with brevianamide F and DMSPP | 分子名称: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, DIMETHYLALLYL S-THIOLODIPHOSPHATE, Deoxybrevianamide E synthase notF | 著者 | Dan, Q, Smith, J.L. | 登録日 | 2020-02-25 | 公開日 | 2021-02-03 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Data Science-Driven Analysis of Substrate-Permissive Diketopiperazine Reverse Prenyltransferase NotF: Applications in Protein Engineering and Cascade Biocatalytic Synthesis of (-)-Eurotiumin A. J.Am.Chem.Soc., 144, 2022
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6VY9
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![BU of 6vy9 by Molmil](/molmil-images/mine/6vy9) | Crystal structure of NotF prenyltransferase | 分子名称: | Deoxybrevianamide E synthase notF | 著者 | Dan, Q, Smith, J.L. | 登録日 | 2020-02-25 | 公開日 | 2021-02-03 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (3.19 Å) | 主引用文献 | Data Science-Driven Analysis of Substrate-Permissive Diketopiperazine Reverse Prenyltransferase NotF: Applications in Protein Engineering and Cascade Biocatalytic Synthesis of (-)-Eurotiumin A. J.Am.Chem.Soc., 144, 2022
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6NKK
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![BU of 6nkk by Molmil](/molmil-images/mine/6nkk) | Structure of PhqE Reductase/Diels-Alderase from Penicillium fellutanum in complex with NADP+ and premalbrancheamide | 分子名称: | (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase | 著者 | Newmister, S.A, Dan, Q, Smith, J.L, Sherman, D.H. | 登録日 | 2019-01-07 | 公開日 | 2019-10-09 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.299 Å) | 主引用文献 | Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase. Nat.Chem., 11, 2019
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6NKM
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![BU of 6nkm by Molmil](/molmil-images/mine/6nkm) | Structure of PhqE D166N Reductase/Diels-Alderase from Penicillium fellutanum in complex with NADP+ and substrate | 分子名称: | 3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-8H-pyrrolo[1,2-a]pyrazin-5-ium-1-olate, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase | 著者 | Newmister, S.A, Dan, Q, Smith, J.L, Sherman, D.H. | 登録日 | 2019-01-07 | 公開日 | 2019-10-09 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.896 Å) | 主引用文献 | Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase. Nat.Chem., 11, 2019
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5WGT
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![BU of 5wgt by Molmil](/molmil-images/mine/5wgt) | Crystal Structure of MalA' H253A, premalbrancheamide complex | 分子名称: | (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ... | 著者 | Fraley, A.E, Smith, J.L. | 登録日 | 2017-07-14 | 公開日 | 2017-08-16 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.093 Å) | 主引用文献 | Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids. J. Am. Chem. Soc., 139, 2017
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6ECW
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6ECX
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6MFD
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![BU of 6mfd by Molmil](/molmil-images/mine/6mfd) | GphF GNAT-like decarboxylase in complex with isobutyryl-CoA | 分子名称: | ACETATE ION, GLYCEROL, GphF, ... | 著者 | Skiba, M.A, Tran, C.L, Smith, J.L. | 登録日 | 2018-09-10 | 公開日 | 2019-09-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.794 Å) | 主引用文献 | Repurposing the GNAT Fold in the Initiation of Polyketide Biosynthesis. Structure, 28, 2020
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6MFC
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8FBC
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![BU of 8fbc by Molmil](/molmil-images/mine/8fbc) | Crystal structure of P450T2 | 分子名称: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Pereira, J.H, Huang, J, Keasling, J, Adams, P.D. | 登録日 | 2022-11-29 | 公開日 | 2023-05-10 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Complete integration of carbene-transfer chemistry into biosynthesis. Nature, 617, 2023
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6ECV
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6ECT
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6ECU
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5WGW
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![BU of 5wgw by Molmil](/molmil-images/mine/5wgw) | Crystal Structure of Wild-type MalA', malbrancheamide B complex | 分子名称: | (5aS,12aS,13aS)-9-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ... | 著者 | Fraley, A.E, Smith, J.L. | 登録日 | 2017-07-14 | 公開日 | 2017-08-16 | 最終更新日 | 2019-11-27 | 実験手法 | X-RAY DIFFRACTION (2.092 Å) | 主引用文献 | Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids. J. Am. Chem. Soc., 139, 2017
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5WGS
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![BU of 5wgs by Molmil](/molmil-images/mine/5wgs) | Crystal Structure of MalA' H253F, premalbrancheamide complex | 分子名称: | (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ... | 著者 | Fraley, A.E, Smith, J.L. | 登録日 | 2017-07-14 | 公開日 | 2017-08-16 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids. J. Am. Chem. Soc., 139, 2017
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5WGX
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![BU of 5wgx by Molmil](/molmil-images/mine/5wgx) | Crystal Structure of MalA' H253A, malbrancheamide B complex | 分子名称: | (5aS,12aS,13aS)-9-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ... | 著者 | Fraley, A.E, Smith, J.L. | 登録日 | 2017-07-14 | 公開日 | 2017-08-16 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.973 Å) | 主引用文献 | Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids. J. Am. Chem. Soc., 139, 2017
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5WGR
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![BU of 5wgr by Molmil](/molmil-images/mine/5wgr) | Crystal Structure of Wild-type MalA', premalbrancheamide complex | 分子名称: | (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ... | 著者 | Fraley, A.E, Smith, J.L. | 登録日 | 2017-07-14 | 公開日 | 2017-08-16 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.362 Å) | 主引用文献 | Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids. J. Am. Chem. Soc., 139, 2017
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5WGZ
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![BU of 5wgz by Molmil](/molmil-images/mine/5wgz) | Crystal Structure of Wild-type MalA', isomalbrancheamide B complex | 分子名称: | (5aS,12aS,13aS)-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ... | 著者 | Fraley, A.E, Smith, J.L. | 登録日 | 2017-07-14 | 公開日 | 2017-08-16 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.041 Å) | 主引用文献 | Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids. J. Am. Chem. Soc., 139, 2017
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5WGV
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![BU of 5wgv by Molmil](/molmil-images/mine/5wgv) | Crystal Structure of MalA' C112S/C128S, premalbrancheamide complex | 分子名称: | (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ... | 著者 | Fraley, A.E, Smith, J.L. | 登録日 | 2017-07-14 | 公開日 | 2017-08-16 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids. J. Am. Chem. Soc., 139, 2017
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5WGU
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![BU of 5wgu by Molmil](/molmil-images/mine/5wgu) | Crystal Structure of MalA' E494D, premalbrancheamide complex | 分子名称: | (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ... | 著者 | Fraley, A.E, Smith, J.L. | 登録日 | 2017-07-14 | 公開日 | 2017-08-16 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.052 Å) | 主引用文献 | Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids. J. Am. Chem. Soc., 139, 2017
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5WGY
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![BU of 5wgy by Molmil](/molmil-images/mine/5wgy) | Crystal Structure of MalA' C112S/C128S, malbrancheamide B complex | 分子名称: | (5aS,12aS,13aS)-9-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ... | 著者 | Fraley, A.E, Smith, J.L. | 登録日 | 2017-07-14 | 公開日 | 2017-08-16 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids. J. Am. Chem. Soc., 139, 2017
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6C9S
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![BU of 6c9s by Molmil](/molmil-images/mine/6c9s) | Mycobacterium tuberculosis adenosine kinase bound to (2R,3R,4S,5R)-2-(6-([1,1'-biphenyl]-4-ylethynyl)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol | 分子名称: | 6-[([1,1'-biphenyl]-4-yl)ethynyl]-9-beta-D-ribofuranosyl-9H-purine, Adenosine kinase, SODIUM ION, ... | 著者 | Crespo, R.A, TB Structural Genomics Consortium (TBSGC) | 登録日 | 2018-01-28 | 公開日 | 2019-05-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase. J.Med.Chem., 62, 2019
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6C9V
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![BU of 6c9v by Molmil](/molmil-images/mine/6c9v) | Mycobacterium tuberculosis adenosine kinase bound to (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-phenylpiperazin-1-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol | 分子名称: | (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(4-phenylpiperazin-1-yl)-9H-purin-9-yl]tetrahydrofuran-3,4-diol, Adenosine kinase, GLYCEROL, ... | 著者 | Crespo, R.A, TB Structural Genomics Consortium (TBSGC) | 登録日 | 2018-01-28 | 公開日 | 2019-05-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase. J.Med.Chem., 62, 2019
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