6PVJ
 
 | | Crystal structure of PhqK in complex with malbrancheamide C | | 分子名称: | (5aS,12aS,13aS)-9-bromo-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, FAD monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE | | 著者 | Fraley, A.E, Smith, J.L, Sherman, D.H. | | 登録日 | 2019-07-20 | | 公開日 | 2020-01-22 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway.
J.Am.Chem.Soc., 142, 2020
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8G7W
 | | Type I modPKS reducing region | | 分子名称: | GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ... | | 著者 | McCullough, T.M, Smith, J.L. | | 登録日 | 2023-02-17 | | 公開日 | 2023-06-07 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Structure of a modular polyketide synthase reducing region.
Structure, 31, 2023
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8G7X
 | | Human fatty acid synthase dehydratase domain | | 分子名称: | 3-hydroxyacyl-[acyl-carrier-protein] dehydratase, ACETATE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Akey, D.L, Konwerski, J.R, McCullough, T.M, Smith, J.L. | | 登録日 | 2023-02-17 | | 公開日 | 2023-06-07 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.815 Å) | | 主引用文献 | Structure of a modular polyketide synthase reducing region.
Structure, 31, 2023
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9CBD
 | | Pikromycin Thioesterase Domain | | 分子名称: | Narbonolide/10-deoxymethynolide synthase PikA4, module 6 | | 著者 | McCullough, T.M, Smith, J.L. | | 登録日 | 2024-06-19 | | 公開日 | 2024-09-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Substrate Trapping in Polyketide Synthase Thioesterase Domains: Structural Basis for Macrolactone Formation
Acs Catalysis, 14, 2024
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9CFJ
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9CGL
 | | Pikromycin Thioesterase Doubly Protected DAP | | 分子名称: | 2-{[(1R)-1-(6-nitro-2H-1,3-benzodioxol-5-yl)ethyl]sulfanyl}ethyl formate, Narbonolide/10-deoxymethynolide synthase PikA4, module 6 | | 著者 | McCullough, T.M, Smith, J.L. | | 登録日 | 2024-06-29 | | 公開日 | 2024-09-18 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Substrate Trapping in Polyketide Synthase Thioesterase Domains: Structural Basis for Macrolactone Formation
Acs Catalysis, 14, 2024
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5KP7
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5KP6
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5W7P
 | | Crystal structure of OxaC | | 分子名称: | OxaC, S-ADENOSYLMETHIONINE | | 著者 | Newmister, S.A, Romminger, S, Schmidt, J.J, Williams, R.M, Smith, J.L, Berlinck, R.G.S, Sherman, D.H. | | 登録日 | 2017-06-20 | | 公開日 | 2018-06-27 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Unveiling sequential late-stage methyltransferase reactions in the meleagrin/oxaline biosynthetic pathway.
Org. Biomol. Chem., 16, 2018
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5WPU
 | | Crystal structure HpiC1 Y101S | | 分子名称: | 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION | | 著者 | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | | 登録日 | 2017-08-07 | | 公開日 | 2018-03-07 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Nat. Chem. Biol., 14, 2018
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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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5WPS
 | | Crystal structure HpiC1 Y101F | | 分子名称: | 1,2-ETHANEDIOL, 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | 著者 | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | | 登録日 | 2017-08-07 | | 公開日 | 2018-04-04 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.389 Å) | | 主引用文献 | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Nat. Chem. Biol., 14, 2018
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5WM2
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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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5WM4
 | | Crystal Structure of CahJ in Complex with 6-Methylsalicyl Adenylate | | 分子名称: | 9-(5-O-{(S)-hydroxy[(2-hydroxy-6-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine, ACETATE ION, GLYCEROL, ... | | 著者 | Sikkema, A.P, Smith, J.L. | | 登録日 | 2017-07-28 | | 公開日 | 2018-05-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.781 Å) | | 主引用文献 | A Defined and Flexible Pocket Explains Aryl Substrate Promiscuity of the Cahuitamycin Starter Unit-Activating Enzyme CahJ.
Chembiochem, 19, 2018
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5W7K
 | | Crystal structure of OxaG | | 分子名称: | CHLORIDE ION, OxaG, S-ADENOSYL-L-HOMOCYSTEINE | | 著者 | Newmister, S.A, Romminger, S, Schmidt, J.J, Williams, R.M, Smith, J.L, Berlinck, R.G.S, Sherman, D.H. | | 登録日 | 2017-06-20 | | 公開日 | 2018-06-27 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.994 Å) | | 主引用文献 | Unveiling sequential late-stage methyltransferase reactions in the meleagrin/oxaline biosynthetic pathway.
Org. Biomol. Chem., 16, 2018
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5W7S
 | | Crystal structure of OxaC in complex with sinefungin and meleagrin | | 分子名称: | (3E,7aR,12aS)-6-hydroxy-3-[(1H-imidazol-4-yl)methylidene]-12-methoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione, OxaC, SINEFUNGIN | | 著者 | Newmister, S.A, Romminger, S, Schmidt, J.J, Williams, R.M, Smith, J.L, Berlinck, R.G.S, Sherman, D.H. | | 登録日 | 2017-06-20 | | 公開日 | 2018-06-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.948 Å) | | 主引用文献 | Unveiling sequential late-stage methyltransferase reactions in the meleagrin/oxaline biosynthetic pathway.
Org. Biomol. Chem., 16, 2018
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5WM7
 | | Crystal Structure of CahJ in Complex with AMP | | 分子名称: | ACETATE ION, ADENOSINE MONOPHOSPHATE, GLYCEROL, ... | | 著者 | Sikkema, A.P, Smith, J.L. | | 登録日 | 2017-07-28 | | 公開日 | 2018-05-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.777 Å) | | 主引用文献 | A Defined and Flexible Pocket Explains Aryl Substrate Promiscuity of the Cahuitamycin Starter Unit-Activating Enzyme CahJ.
Chembiochem, 19, 2018
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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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5W7M
 | | Crystal structure of RoqN | | 分子名称: | Glandicoline B O-methyltransferase roqN, S-ADENOSYL-L-HOMOCYSTEINE | | 著者 | Newmister, S.A, Romminger, S, Schmidt, J.J, Williams, R.M, Smith, J.L, Berlinck, R.G.S, Sherman, D.H. | | 登録日 | 2017-06-20 | | 公開日 | 2018-06-27 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Unveiling sequential late-stage methyltransferase reactions in the meleagrin/oxaline biosynthetic pathway.
Org. Biomol. Chem., 16, 2018
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5WM3
 | | Crystal Structure of CahJ in Complex with Salicyl Adenylate | | 分子名称: | 9-(5-O-{(S)-hydroxy[(2-hydroxybenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine, ACETATE ION, GLYCEROL, ... | | 著者 | Sikkema, A.P, Smith, J.L. | | 登録日 | 2017-07-28 | | 公開日 | 2018-05-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.679 Å) | | 主引用文献 | A Defined and Flexible Pocket Explains Aryl Substrate Promiscuity of the Cahuitamycin Starter Unit-Activating Enzyme CahJ.
Chembiochem, 19, 2018
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5WPP
 | | Crystal structure HpiC1 W73M/K132M | | 分子名称: | 12-epi-hapalindole C/U synthase, CALCIUM ION, TETRAETHYLENE GLYCOL, ... | | 著者 | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | | 登録日 | 2017-08-07 | | 公開日 | 2018-03-07 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Nat. Chem. Biol., 14, 2018
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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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5WM6
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5W3V
 | | Crystal Structure of macaque APOBEC3H in complex with RNA | | 分子名称: | Apobec3H, RNA (5'-R(P*AP*AP*CP*CP*CP*CP*GP*GP*GP*C)-3'), RNA (5'-R(P*AP*AP*CP*CP*CP*GP*GP*GP*GP*A)-3'), ... | | 著者 | Bohn, J.A, Thummar, K, York, A, Raymond, A, Brown, W.C, Bieniasz, P.D, Hatziioannou, T, Smith, J.L. | | 登録日 | 2017-06-08 | | 公開日 | 2017-10-25 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.243 Å) | | 主引用文献 | APOBEC3H structure reveals an unusual mechanism of interaction with duplex RNA.
Nat Commun, 8, 2017
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