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5WGS
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BU of 5wgs by Molmil
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
5WGX
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BU of 5wgx by Molmil
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
5WM5
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BU of 5wm5 by Molmil
Crystal Structure of CahJ in Complex with 5-Methylsalicyl Adenylate
分子名称: 9-(5-O-{(S)-hydroxy[(2-hydroxy-5-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 (1.797 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
5WGR
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BU of 5wgr by Molmil
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
5WGZ
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BU of 5wgz by Molmil
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
5WPR
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BU of 5wpr by Molmil
Crystal structure HpiC1 in C2 space group
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 (1.49 Å)
主引用文献Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Nat. Chem. Biol., 14, 2018
5WM3
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BU of 5wm3 by Molmil
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
5WPP
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BU of 5wpp by Molmil
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
5W7R
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BU of 5w7r by Molmil
Crystal structure of OxaC in complex with SAH and oxaline
分子名称: (3E,7aR,12aS)-3-[(1H-imidazol-4-yl)methylidene]-6,12-dimethoxy-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, 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2018-07-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.497 Å)
主引用文献Unveiling sequential late-stage methyltransferase reactions in the meleagrin/oxaline biosynthetic pathway.
Org. Biomol. Chem., 16, 2018
5WGY
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BU of 5wgy by Molmil
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
5WM6
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BU of 5wm6 by Molmil
Crystal Structure of CahJ in Complex with Benzoyl Adenylate
分子名称: 5'-O-[(R)-(benzoyloxy)(hydroxy)phosphoryl]adenosine, ACETATE ION, MAGNESIUM ION, ...
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 (2 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
5WGW
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BU of 5wgw by Molmil
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
5WPU
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BU of 5wpu by Molmil
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
5THY
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BU of 5thy by Molmil
Crystal structure of SeMet-Substituted CurJ carbon methyltransferase
分子名称: CurJ, OXIDIZED GLUTATHIONE DISULFIDE, S-ADENOSYL-L-HOMOCYSTEINE
著者Skiba, M.A, Smith, J.L.
登録日2016-09-30
公開日2016-10-19
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (2.087 Å)
主引用文献Domain Organization and Active Site Architecture of a Polyketide Synthase C-methyltransferase.
ACS Chem. Biol., 11, 2016
5WM7
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BU of 5wm7 by Molmil
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
5WPS
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BU of 5wps by Molmil
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
2HFJ
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BU of 2hfj by Molmil
Pikromycin thioesterase with covalent pentaketide affinity label
分子名称: DIMETHYL SULFOXIDE, MAGNESIUM ION, SULFATE ION, ...
著者Akey, D.L, Kittendorf, J.D, Giraldes, J.W, Fecik, R.A, Sherman, D.H, Smith, J.L.
登録日2006-06-24
公開日2006-09-19
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Basis for Macrolactonization by the Pikromycin Thioesterase
NAT.CHEM.BIOL., 2, 2006
2IGB
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BU of 2igb by Molmil
Crystal Structure of PyrR, The Regulator Of The Pyrimidine Biosynthetic Operon In Bacillus caldolyticus, UMP-bound form
分子名称: 1,2-ETHANEDIOL, PyrR bifunctional protein, URIDINE-5'-MONOPHOSPHATE
著者Chander, P, Switzer, R.L, Smith, J.L.
登録日2006-09-22
公開日2007-09-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献PyrR, the regulator of the pyrimidine biosynthetic operon in Bacillus caldolyticus
To be Published
2HFK
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BU of 2hfk by Molmil
Pikromycin thioesterase in complex with product 10-deoxymethynolide
分子名称: (3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
著者Akey, D.L, Kittendorf, J.D, Giraldes, J.W, Fecik, R.A, Sherman, D.H, Smith, J.L.
登録日2006-06-24
公開日2006-09-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural Basis for Macrolactonization by the Pikromycin Thioesterase
NAT.CHEM.BIOL., 2, 2006
1CTM
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BU of 1ctm by Molmil
CRYSTAL STRUCTURE OF CHLOROPLAST CYTOCHROME F REVEALS A NOVEL CYTOCHROME FOLD AND UNEXPECTED HEME LIGATION
分子名称: CYTOCHROME F, HEME C
著者Martinez, S.E, Huang, D, Szczepaniak, A, Cramer, W.A, Smith, J.L.
登録日1994-01-02
公開日1994-05-31
最終更新日2021-03-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of chloroplast cytochrome f reveals a novel cytochrome fold and unexpected heme ligation.
Structure, 2, 1994
1CI3
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BU of 1ci3 by Molmil
CYTOCHROME F FROM THE B6F COMPLEX OF PHORMIDIUM LAMINOSUM
分子名称: HEME C, PROTEIN (CYTOCHROME F), ZINC ION
著者Carrell, C.J, Schlarb, B.G, Howe, C.J, Bendall, D.S, Cramer, W.A, Smith, J.L.
登録日1999-04-07
公開日1999-08-11
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the soluble domain of cytochrome f from the cyanobacterium Phormidium laminosum.
Biochemistry, 38, 1999
2Q34
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BU of 2q34 by Molmil
Crystal Structure of the ECH2 decarboxylase domain of CurF from Lyngbya majuscula, rhombohedral crystal form
分子名称: CurF
著者Geders, T.W, Mowers, J.C, Smith, J.L.
登録日2007-05-29
公開日2007-10-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of the ECH2 catalytic domain of CurF from Lyngbya majuscula. Insights into a decarboxylase involved in polyketide chain beta-branching.
J.Biol.Chem., 282, 2007
2Q35
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BU of 2q35 by Molmil
Crystal Structure of the Y82F variant of ECH2 decarboxylase domain of CurF from Lyngbya majuscula
分子名称: CHLORIDE ION, CurF, GLYCEROL
著者Geders, T.W, Mowers, J.C, Smith, J.L.
登録日2007-05-29
公開日2007-10-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of the ECH2 catalytic domain of CurF from Lyngbya majuscula. Insights into a decarboxylase involved in polyketide chain beta-branching.
J.Biol.Chem., 282, 2007
2Q2X
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BU of 2q2x by Molmil
Crystal Structure of the ECH2 decarboxylase domain of CurF from Lyngbya majuscula
分子名称: CurF, GLYCEROL
著者Geders, T.W, Mowers, J.C, Smith, J.L.
登録日2007-05-29
公開日2007-10-09
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the ECH2 catalytic domain of CurF from Lyngbya majuscula. Insights into a decarboxylase involved in polyketide chain beta-branching.
J.Biol.Chem., 282, 2007
1ECJ
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BU of 1ecj by Molmil
ESCHERICHIA COLI GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATE (PRPP) AMIDOTRANSFERASE COMPLEXED WITH 2 AMP PER TETRAMER
分子名称: ADENOSINE MONOPHOSPHATE, GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATE AMIDOTRANSFERASE
著者Muchmore, C.R, Krahn, J.M, Smith, J.L.
登録日1997-07-16
公開日1998-04-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of glutamine phosphoribosylpyrophosphate amidotransferase from Escherichia coli.
Protein Sci., 7, 1998

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