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2VBD
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BU of 2vbd by Molmil
Isopenicillin N synthase with substrate analogue L,L,L-ACOMP (unexposed)
分子名称: FE (II) ION, ISOPENICILLIN N SYNTHETASE, N^6^-[(1R)-2-[(1R)-1-carboxy-2-(methylsulfanyl)ethoxy]-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine
著者Ge, W, Clifton, I.J, Adlington, R.M, Baldwin, J.E, Rutledge, P.J.
登録日2007-09-10
公開日2008-09-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Crystal Structure of an Lll-Configured Depsipeptide Substrate Analogue Bound to Isopenicillin N Synthase.
Org.Biomol.Chem., 8, 2010
2VBB
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BU of 2vbb by Molmil
Isopenicillin N synthase with substrate analogue ACOMP (35minutes oxygen exposure)
分子名称: FE (II) ION, GLYCEROL, ISOPENICILLIN N SYNTHETASE, ...
著者Ge, W, Clifton, I.J, Adlington, R.M, Baldwin, J.E, Rutledge, P.J.
登録日2007-09-07
公開日2008-07-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Isopenicillin N Synthase Mediates Thiolate Oxidation to Sulfenate in a Depsipeptide Substrate Analogue: Implications for Oxygen Binding and a Link to Nitrile Hydratase?
J.Am.Chem.Soc., 130, 2008
2VBP
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BU of 2vbp by Molmil
Isopenicillin N synthase with substrate analogue L,L,L-ACAB (unexposed)
分子名称: FE (II) ION, ISOPENICILLIN N SYNTHETASE, N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine, ...
著者Ge, W, Clifton, I.J, Adlington, R.M, Baldwin, J.E, Rutledge, P.J.
登録日2007-09-14
公開日2008-11-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystallographic Studies on the Binding of Selectively Deuterated Lld- and Lll-Substrate Epimers by Isopenicillin N Synthase.
Biochem.Biophys.Res.Commun., 398, 2010
1HB1
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BU of 1hb1 by Molmil
ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ANAEROBIC ACOV FE COMPLEX)
分子名称: FE (II) ION, ISOPENICILLIN N SYNTHASE, N6-[(1R)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOMETHYL)-2-OXOETHYL]-6-OXO-D-LYSINE, ...
著者Ogle, J.M, Clifton, I.J, Rutledge, P.J, Elkins, J.M, Burzlaff, N.I, Adlington, R.M, Roach, P.L, Baldwin, J.E.
登録日2001-04-11
公開日2001-11-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Alternative Oxidation by Isopenicillin N Synthase Observed by X-Ray Diffraction.
Chem.Biol., 8, 2001
1HB3
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BU of 1hb3 by Molmil
ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (OXYGEN EXPOSED PRODUCT FROM ANAEROBIC ACOV FE COMPLEX)
分子名称: FE (II) ION, ISOPENICILLIN N SYNTHASE, N6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOCARBONYL)-2-OXOETHYL]-6-OXO-L-LYSINE, ...
著者Ogle, J.M, Clifton, I.J, Rutledge, P.J, Elkins, J.M, Burzlaff, N.I, Adlington, R.M, Roach, P.L, Baldwin, J.E.
登録日2001-04-11
公開日2001-11-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Alternative Oxidation by Isopenicillin N Synthase Observed by X-Ray Diffraction.
Chem.Biol., 8, 2001
1GP5
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BU of 1gp5 by Molmil
Anthocyanidin synthase from Arabidopsis thaliana complexed with trans-dihydroquercetin
分子名称: (2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, (2S,3S)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Wilmouth, R.C, Turnbull, J.J, Welford, R.W.D, Clifton, I.J, Prescott, A.G, Schofield, C.J.
登録日2001-10-30
公開日2002-02-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and Mechanism of Anthocyanidin Synthase from Arabidopsis Thaliana.
Structure, 10, 2002
1HB2
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BU of 1hb2 by Molmil
ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (OXYGEN EXPOSED PRODUCT FROM ANAEROBIC ACOV FE COMPLEX)
分子名称: FE (II) ION, ISOPENICILLIN N SYNTHASE, N6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOCARBONYL)-2-OXOETHYL]-6-OXO-L-LYSINE, ...
著者Ogle, J.M, Clifton, I.J, Rutledge, P.J, Elkins, J.M, Burzlaff, N.I, Adlington, R.M, Roach, P.L, Baldwin, J.E.
登録日2001-04-11
公開日2001-11-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Alternative Oxidation by Isopenicillin N Synthase Observed by X-Ray Diffraction.
Chem.Biol., 8, 2001
1GP6
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BU of 1gp6 by Molmil
Anthocyanidin synthase from Arabidopsis thaliana complexed with trans-dihydroquercetin (with 30 min exposure to O2)
分子名称: (2S,3S)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3,5,7,3',4'-PENTAHYDROXYFLAVONE, ...
著者Wilmouth, R.C, Turnbull, J.J, Welford, R.W.D, Clifton, I.J, Prescott, A.G, Schofield, C.J.
登録日2001-10-30
公開日2002-02-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure and Mechanism of Anthocyanidin Synthase from Arabidopsis Thaliana.
Structure, 10, 2002
1HB4
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BU of 1hb4 by Molmil
ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (OXYGEN EXPOSED PRODUCT FROM ANAEROBIC ACOV FE COMPLEX)
分子名称: FE (II) ION, ISOPENICILLIN N SYNTHASE, N6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOCARBONYL)-2-OXOETHYL]-6-OXO-L-LYSINE, ...
著者Ogle, J.M, Clifton, I.J, Rutledge, P.J, Elkins, J.M, Burzlaff, N.I, Adlington, R.M, Roach, P.L, Baldwin, J.E.
登録日2001-04-11
公開日2001-11-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Alternative Oxidation by Isopenicillin N Synthase Observed by X-Ray Diffraction.
Chem.Biol., 8, 2001
8CVD
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BU of 8cvd by Molmil
Structure of Hyoscyamine 6-beta Hydroxylase in complex with iron, succinate, and scopolamine
分子名称: (1R,2R,4S,5S,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-7-yl (2S)-3-hydroxy-2-phenylpropanoate, 1,2-ETHANEDIOL, FE (II) ION, ...
著者Wenger, E.W, Boal, A.K, Bollinger, J.M, Krebs, C.
登録日2022-05-18
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.717 Å)
主引用文献Structure of the H6H cyclization product complex
To Be Published
8CVH
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BU of 8cvh by Molmil
Structure of L289F Hyoscyamine 6-beta Hydroxylase in complex with vanadyl, succinate, and 6-OH-hyoscyamine
分子名称: (1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate, 1,2-ETHANEDIOL, FORMIC ACID, ...
著者Wenger, E.W, Boal, A.K, Bollinger, J.M, Krebs, C.
登録日2022-05-18
公開日2023-11-22
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structure of the L289F H6H cyclization ferryl-mimicking complex
To Be Published
8CV8
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BU of 8cv8 by Molmil
Structure of Hyoscyamine 6-beta Hydroxylase in complex with iron, 2-oxoglutarate, and hyoscyamine
分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, FE (II) ION, ...
著者Wenger, E.W, Boal, A.K, Bollinger, J.M, Krebs, C.
登録日2022-05-18
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.532 Å)
主引用文献Structure of the H6H hydroxylation reactant complex
To Be Published
8CVA
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BU of 8cva by Molmil
Structure of Hyoscyamine 6-beta Hydroxylase in complex with iron, succinate, and 6-OH-hyoscyamine
分子名称: (1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate, 1,2-ETHANEDIOL, FE (II) ION, ...
著者Wenger, E.W, Boal, A.K, Bollinger, J.M, Krebs, C.
登録日2022-05-18
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.581 Å)
主引用文献Structure of the H6H hydroxylation product complex
To Be Published
8CVC
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BU of 8cvc by Molmil
Structure of Hyoscyamine 6-beta Hydroxylase in complex with vanadyl, succinate, and 6-OH-hyoscyamine
分子名称: (1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate, 1,2-ETHANEDIOL, FORMIC ACID, ...
著者Wenger, E.W, Boal, A.K, Bollinger, J.M, Krebs, C.
登録日2022-05-18
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.791 Å)
主引用文献Structure mimicking the H6H cyclization ferryl complex
To Be Published
8CVB
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BU of 8cvb by Molmil
Structure of Hyoscyamine 6-beta Hydroxylase in complex with iron, 2-oxoglutarate, and 6-OH-hyoscyamine
分子名称: (1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate, 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, ...
著者Wenger, E.W, Boal, A.K, Bollinger, J.M, Krebs, C.
登録日2022-05-18
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.532 Å)
主引用文献Structure of the H6H cyclization reactant complex
To Be Published
8CVF
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BU of 8cvf by Molmil
Structure of L289F Hyoscyamine 6-beta Hydroxylase in complex with vanadyl, succinate, and hyoscyamine
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, Hyoscyamine 6-beta-hydroxylase, ...
著者Wenger, E.W, Boal, A.K, Bollinger, J.M, Krebs, C.
登録日2022-05-18
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.532 Å)
主引用文献Structure of the L289F H6H ferryl-mimicking complex
To Be Published
8CV9
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BU of 8cv9 by Molmil
Structure of Hyoscyamine 6-beta Hydroxylase in complex with vanadyl, succinate, and hyoscyamine
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, Hyoscyamine 6-beta-hydroxylase, ...
著者Wenger, E.W, Boal, A.K, Bollinger, J.M, Krebs, C.
登録日2022-05-18
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structure of the H6H hydroxylation reactant complex
To Be Published
8CVE
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BU of 8cve by Molmil
Structure of L289F Hyoscyamine 6-beta Hydroxylase in complex with iron, 2-oxoglutarate, and hyoscyamine
分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, FE (II) ION, ...
著者Wenger, E.W, Boal, A.K, Bollinger, J.M, Krebs, C.
登録日2022-05-18
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structure of the L289F H6H hydroxylation reactant complex
To Be Published
8CVG
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BU of 8cvg by Molmil
Structure of L289F Hyoscyamine 6-beta Hydroxylase in complex with iron, 2-oxoglutarate, and 6-OH-hyoscyamine
分子名称: (1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate, 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, ...
著者Wenger, E.W, Boal, A.K, Bollinger, J.M, Krebs, C.
登録日2022-05-18
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structure of the L289F H6H cyclization reactant complex
To Be Published
1GP4
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BU of 1gp4 by Molmil
Anthocyanidin synthase from Arabidopsis thaliana (selenomethionine substituted)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-OXOGLUTARIC ACID, ANTHOCYANIDIN SYNTHASE
著者Wilmouth, R.C, Turnbull, J.J, Welford, R.W.D, Clifton, I.J, Prescott, A.G, Schofield, C.J.
登録日2001-10-30
公開日2002-02-21
最終更新日2013-09-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and Mechanism of Anthocyanidin Synthase from Arabidopsis Thaliana.
Structure, 10, 2002
1IPS
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BU of 1ips by Molmil
ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (MANGANESE COMPLEX)
分子名称: ISOPENICILLIN N SYNTHASE, MANGANESE (II) ION
著者Roach, P.L, Clifton, I.J, Fulop, V, Harlos, K, Barton, G.J, Hajdu, J, Andersson, I, Schofield, C.J, Baldwin, J.E.
登録日1997-03-21
公開日1998-03-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of isopenicillin N synthase is the first from a new structural family of enzymes.
Nature, 375, 1995
6TTM
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BU of 6ttm by Molmil
Hyoscyamine 6-hydroxylase in complex with N-oxalylglycine and hyoscyamine
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Hyoscyamine 6 beta-hydroxylase, ...
著者Kluza, A, Kurpiewska, K, Mrugala, B, Porebski, P.J, Niedzialkowska, E, Minor, W, Borowski, T.
登録日2019-12-29
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Regioselectivity of hyoscyamine 6 beta-hydroxylase-catalysed hydroxylation as revealed by high-resolution structural information and QM/MM calculations.
Dalton Trans, 49, 2020
6TTO
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BU of 6tto by Molmil
N-terminally truncated hyoscyamine 6-hydroxylase (tH6H) in complex with 2-oxoglutarate
分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, FORMIC ACID, ...
著者Kluza, A, Mrugala, B, Porebski, P.J, Kurpiewska, K, Niedzialkowska, E, Weiss, M.S, Borowski, T.
登録日2019-12-29
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Regioselectivity of hyoscyamine 6 beta-hydroxylase-catalysed hydroxylation as revealed by high-resolution structural information and QM/MM calculations.
Dalton Trans, 49, 2020
6TTN
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BU of 6ttn by Molmil
N-terminally truncated hyoscyamine 6-hydroxylase (tH6H) in complex with N-oxalylglycine and hyoscyamine
分子名称: 1,2-ETHANEDIOL, Hyoscyamine 6 beta-hydroxylase, N-OXALYLGLYCINE, ...
著者Kluza, A, Mrugala, B, Porebski, P.J, Kurpiewska, K, Niedzialkowska, E, Weiss, M.S, Borowski, T.
登録日2019-12-29
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Regioselectivity of hyoscyamine 6 beta-hydroxylase-catalysed hydroxylation as revealed by high-resolution structural information and QM/MM calculations.
Dalton Trans, 49, 2020
6VP5
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BU of 6vp5 by Molmil
Ethylene forming enzyme (EFE) D191E variant in complex with Fe(II), L-arginine, and 2OG
分子名称: 2-OXOGLUTARIC ACID, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, ...
著者Davis, K.M, Copeland, R.A, Boal, A.K.
登録日2020-02-01
公開日2021-02-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献An Iron(IV)-Oxo Intermediate Initiating l-Arginine Oxidation but Not Ethylene Production by the 2-Oxoglutarate-Dependent Oxygenase, Ethylene-Forming Enzyme.
J.Am.Chem.Soc., 143, 2021

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