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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
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
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
5W7P
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BU of 5w7p by Molmil
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
5WGT
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BU of 5wgt by Molmil
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
5WM4
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BU of 5wm4 by Molmil
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
5W7K
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BU of 5w7k by Molmil
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
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
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
7LO1
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BU of 7lo1 by Molmil
FAD-dependent monooxygenase AfoD from A. nidulans
分子名称: FAD-dependent monooxygenase afoD, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
著者Rodriguez Benitez, A, Smith, J.L, Narayan, A.R.H.
登録日2021-02-08
公開日2022-04-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Deciphering the evolution of flavin-dependent monooxygenase stereoselectivity using ancestral sequence reconstruction.
Proc.Natl.Acad.Sci.USA, 120, 2023
7K93
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BU of 7k93 by Molmil
DENV2 NS1 in complex with neutralizing 2B7 single chain Fab variable region (scFv)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2B7 single chain fab variable region, Non-structural protein 1
著者Akey, D.L, Smith, J.L.
登録日2020-09-28
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structural basis for antibody inhibition of flavivirus NS1-triggered endothelial dysfunction.
Science, 371, 2021
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
2REF
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BU of 2ref by Molmil
Crystal structure of the loading GNATL domain of CurA from Lyngbya majuscula soaked with malonyl-CoA
分子名称: ACETYL COENZYME *A, CurA
著者Geders, T.W, Smith, J.L.
登録日2007-09-26
公開日2007-11-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献GNAT-like strategy for polyketide chain initiation.
Science, 318, 2007
1AO0
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BU of 1ao0 by Molmil
GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATE (PRPP) AMIDOTRANSFERASE FROM B. SUBTILIS COMPLEXED WITH ADP AND GMP
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATE AMIDOTRANSFERASE, GUANOSINE-5'-MONOPHOSPHATE, ...
著者Tomchick, D.R, Smith, J.L.
登録日1997-07-15
公開日1997-11-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mechanism of the synergistic end-product regulation of Bacillus subtilis glutamine phosphoribosylpyrophosphate amidotransferase by nucleotides.
Biochemistry, 36, 1997
2REE
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BU of 2ree by Molmil
Crystal structure of the loading GNATL domain of CurA from Lyngbya majuscula
分子名称: CHLORIDE ION, CurA, GLYCEROL, ...
著者Geders, T.W, Smith, J.L.
登録日2007-09-26
公開日2007-11-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献GNAT-like strategy for polyketide chain initiation.
Science, 318, 2007
1A3C
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BU of 1a3c by Molmil
PYRR, THE BACILLUS SUBTILIS PYRIMIDINE BIOSYNTHETIC OPERON REPRESSOR, DIMERIC FORM
分子名称: PYRIMIDINE OPERON REGULATORY PROTEIN PYRR, SAMARIUM (III) ION, SULFATE ION
著者Tomchick, D.R, Turner, R.J, Switzer, R.W, Smith, J.L.
登録日1998-01-20
公開日1998-08-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Adaptation of an enzyme to regulatory function: structure of Bacillus subtilis PyrR, a pyr RNA-binding attenuation protein and uracil phosphoribosyltransferase.
Structure, 6, 1998
1A4X
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BU of 1a4x by Molmil
PYRR, THE BACILLUS SUBTILIS PYRIMIDINE BIOSYNTHETIC OPERON REPRESSOR, HEXAMERIC FORM
分子名称: PYRIMIDINE OPERON REGULATORY PROTEIN PYRR, SULFATE ION
著者Tomchick, D.R, Turner, R.J, Switzer, R.W, Smith, J.L.
登録日1998-02-08
公開日1998-08-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Adaptation of an enzyme to regulatory function: structure of Bacillus subtilis PyrR, a pyr RNA-binding attenuation protein and uracil phosphoribosyltransferase.
Structure, 6, 1998
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
1RHY
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BU of 1rhy by Molmil
Crystal structure of Imidazole Glycerol Phosphate Dehydratase
分子名称: ACETIC ACID, ETHYL MERCURY ION, GLYCEROL, ...
著者Sinha, S.C, Chaudhuri, B.N, Burgner, J.W, Yakovleva, G, Davisson, V.J, Smith, J.L.
登録日2003-11-14
公開日2004-05-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of imidazole glycerol-phosphate dehydratase: duplication of an unusual fold
J.Biol.Chem., 279, 2004

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