6TTO
| N-terminally truncated hyoscyamine 6-hydroxylase (tH6H) in complex with 2-oxoglutarate | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, FORMIC ACID, ... | Authors: | Kluza, A, Mrugala, B, Porebski, P.J, Kurpiewska, K, Niedzialkowska, E, Weiss, M.S, Borowski, T. | Deposit date: | 2019-12-29 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Regioselectivity of hyoscyamine 6 beta-hydroxylase-catalysed hydroxylation as revealed by high-resolution structural information and QM/MM calculations. Dalton Trans, 49, 2020
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6TTN
| N-terminally truncated hyoscyamine 6-hydroxylase (tH6H) in complex with N-oxalylglycine and hyoscyamine | Descriptor: | 1,2-ETHANEDIOL, Hyoscyamine 6 beta-hydroxylase, N-OXALYLGLYCINE, ... | Authors: | Kluza, A, Mrugala, B, Porebski, P.J, Kurpiewska, K, Niedzialkowska, E, Weiss, M.S, Borowski, T. | Deposit date: | 2019-12-29 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Regioselectivity of hyoscyamine 6 beta-hydroxylase-catalysed hydroxylation as revealed by high-resolution structural information and QM/MM calculations. Dalton Trans, 49, 2020
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2BJS
| Isopenicillin N synthase C-terminal truncation mutant | Descriptor: | FE (III) ION, ISOPENICILLIN N SYNTHETASE, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | Authors: | McNeill, L.A, Sami, M, Clifton, I.J, Burzlaff, N.I. | Deposit date: | 2005-02-07 | Release date: | 2006-03-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Terminally Truncated Isopenicillin N Synthase Generates a Dithioester Product: Evidence for a Thioaldehyde Intermediate during Catalysis and a New Mode of Reaction for Non-Heme Iron Oxidases. Chemistry, 23, 2017
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2BRT
| ANTHOCYANIDIN SYNTHASE FROM ARABIDOPSIS THALIANA COMPLEXED with naringenin | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, LEUCOANTHOCYANIDIN DIOXYGENASE, ... | Authors: | Turnbull, J.J, Clifton, I.J, Welford, R.W.D, Schofield, C.J. | Deposit date: | 2005-05-11 | Release date: | 2006-08-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and Mechanistic Studies on Anthocyanidin Synthase Catalysed Oxidation of Flavanone Substrates: The Effect of C-2 Stereochemistry on Product Selectivity and Mechanism Org.Biomol.Chem., 3, 2005
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2BU9
| Isopenicillin N synthase complexed with L-aminoadipoyl-L-cysteinyl-L- hexafluorovaline | Descriptor: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-L-3,3,3,3',3',3'-HEXAFLUOROVALINE, FE (III) ION, ISOPENICILLIN N SYNTHETASE, ... | Authors: | Howard-Jones, A.R, Rutledge, P.J, Clifton, I.J, Adlington, R.M, Baldwin, J.E. | Deposit date: | 2005-06-09 | Release date: | 2005-09-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Unique Binding of a Non-Natural L,L,L-Substrate by Isopenicillin N Synthase Biochem.Biophys.Res.Commun., 336, 2005
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1GP4
| Anthocyanidin synthase from Arabidopsis thaliana (selenomethionine substituted) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-OXOGLUTARIC ACID, ANTHOCYANIDIN SYNTHASE | Authors: | Wilmouth, R.C, Turnbull, J.J, Welford, R.W.D, Clifton, I.J, Prescott, A.G, Schofield, C.J. | Deposit date: | 2001-10-30 | Release date: | 2002-02-21 | Last modified: | 2013-09-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and Mechanism of Anthocyanidin Synthase from Arabidopsis Thaliana. Structure, 10, 2002
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1GP6
| Anthocyanidin synthase from Arabidopsis thaliana complexed with trans-dihydroquercetin (with 30 min exposure to O2) | Descriptor: | (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, ... | Authors: | Wilmouth, R.C, Turnbull, J.J, Welford, R.W.D, Clifton, I.J, Prescott, A.G, Schofield, C.J. | Deposit date: | 2001-10-30 | Release date: | 2002-02-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure and Mechanism of Anthocyanidin Synthase from Arabidopsis Thaliana. Structure, 10, 2002
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1HB1
| ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ANAEROBIC ACOV FE COMPLEX) | Descriptor: | FE (II) ION, ISOPENICILLIN N SYNTHASE, N6-[(1R)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOMETHYL)-2-OXOETHYL]-6-OXO-D-LYSINE, ... | Authors: | Ogle, J.M, Clifton, I.J, Rutledge, P.J, Elkins, J.M, Burzlaff, N.I, Adlington, R.M, Roach, P.L, Baldwin, J.E. | Deposit date: | 2001-04-11 | Release date: | 2001-11-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Alternative Oxidation by Isopenicillin N Synthase Observed by X-Ray Diffraction. Chem.Biol., 8, 2001
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1GP5
| Anthocyanidin synthase from Arabidopsis thaliana complexed with trans-dihydroquercetin | Descriptor: | (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, ... | Authors: | Wilmouth, R.C, Turnbull, J.J, Welford, R.W.D, Clifton, I.J, Prescott, A.G, Schofield, C.J. | Deposit date: | 2001-10-30 | Release date: | 2002-02-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and Mechanism of Anthocyanidin Synthase from Arabidopsis Thaliana. Structure, 10, 2002
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1HB3
| ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (OXYGEN EXPOSED PRODUCT FROM ANAEROBIC ACOV FE COMPLEX) | Descriptor: | FE (II) ION, ISOPENICILLIN N SYNTHASE, N6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOCARBONYL)-2-OXOETHYL]-6-OXO-L-LYSINE, ... | Authors: | Ogle, J.M, Clifton, I.J, Rutledge, P.J, Elkins, J.M, Burzlaff, N.I, Adlington, R.M, Roach, P.L, Baldwin, J.E. | Deposit date: | 2001-04-11 | Release date: | 2001-11-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Alternative Oxidation by Isopenicillin N Synthase Observed by X-Ray Diffraction. Chem.Biol., 8, 2001
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1HB2
| ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (OXYGEN EXPOSED PRODUCT FROM ANAEROBIC ACOV FE COMPLEX) | Descriptor: | FE (II) ION, ISOPENICILLIN N SYNTHASE, N6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOCARBONYL)-2-OXOETHYL]-6-OXO-L-LYSINE, ... | Authors: | Ogle, J.M, Clifton, I.J, Rutledge, P.J, Elkins, J.M, Burzlaff, N.I, Adlington, R.M, Roach, P.L, Baldwin, J.E. | Deposit date: | 2001-04-11 | Release date: | 2001-11-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Alternative Oxidation by Isopenicillin N Synthase Observed by X-Ray Diffraction. Chem.Biol., 8, 2001
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1HB4
| ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (OXYGEN EXPOSED PRODUCT FROM ANAEROBIC ACOV FE COMPLEX) | Descriptor: | FE (II) ION, ISOPENICILLIN N SYNTHASE, N6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOCARBONYL)-2-OXOETHYL]-6-OXO-L-LYSINE, ... | Authors: | Ogle, J.M, Clifton, I.J, Rutledge, P.J, Elkins, J.M, Burzlaff, N.I, Adlington, R.M, Roach, P.L, Baldwin, J.E. | Deposit date: | 2001-04-11 | Release date: | 2001-11-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Alternative Oxidation by Isopenicillin N Synthase Observed by X-Ray Diffraction. Chem.Biol., 8, 2001
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1IPS
| ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (MANGANESE COMPLEX) | Descriptor: | ISOPENICILLIN N SYNTHASE, MANGANESE (II) ION | Authors: | Roach, P.L, Clifton, I.J, Fulop, V, Harlos, K, Barton, G.J, Hajdu, J, Andersson, I, Schofield, C.J, Baldwin, J.E. | Deposit date: | 1997-03-21 | Release date: | 1998-03-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of isopenicillin N synthase is the first from a new structural family of enzymes. Nature, 375, 1995
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8CI9
| Deoxypodophyllotoxin Synthase in complex with Tris | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxypodophyllotoxin synthase, FE (III) ION | Authors: | Ingold, Z, Lichman, B, Grogan, G. | Deposit date: | 2023-02-09 | Release date: | 2023-06-14 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Structure and mutation of deoxypodophyllotoxin synthase (DPS) from Podophyllum hexandrum Front Catal, 3, 2023
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8CVB
| Structure of Hyoscyamine 6-beta Hydroxylase in complex with iron, 2-oxoglutarate, and 6-OH-hyoscyamine | Descriptor: | (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, ... | Authors: | Wenger, E.W, Boal, A.K, Bollinger, J.M, Krebs, C. | Deposit date: | 2022-05-18 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.532 Å) | Cite: | Structure of the H6H cyclization reactant complex To Be Published
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8CVF
| Structure of L289F Hyoscyamine 6-beta Hydroxylase in complex with vanadyl, succinate, and hyoscyamine | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, Hyoscyamine 6-beta-hydroxylase, ... | Authors: | Wenger, E.W, Boal, A.K, Bollinger, J.M, Krebs, C. | Deposit date: | 2022-05-18 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.532 Å) | Cite: | Structure of the L289F H6H ferryl-mimicking complex To Be Published
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8CVH
| Structure of L289F Hyoscyamine 6-beta Hydroxylase in complex with vanadyl, succinate, and 6-OH-hyoscyamine | Descriptor: | (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, ... | Authors: | Wenger, E.W, Boal, A.K, Bollinger, J.M, Krebs, C. | Deposit date: | 2022-05-18 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structure of the L289F H6H cyclization ferryl-mimicking complex To Be Published
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8CVD
| Structure of Hyoscyamine 6-beta Hydroxylase in complex with iron, succinate, and scopolamine | Descriptor: | (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, ... | Authors: | Wenger, E.W, Boal, A.K, Bollinger, J.M, Krebs, C. | Deposit date: | 2022-05-18 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.717 Å) | Cite: | Structure of the H6H cyclization product complex To Be Published
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8CVC
| Structure of Hyoscyamine 6-beta Hydroxylase in complex with vanadyl, succinate, and 6-OH-hyoscyamine | Descriptor: | (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, ... | Authors: | Wenger, E.W, Boal, A.K, Bollinger, J.M, Krebs, C. | Deposit date: | 2022-05-18 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.791 Å) | Cite: | Structure mimicking the H6H cyclization ferryl complex To Be Published
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8CVG
| Structure of L289F Hyoscyamine 6-beta Hydroxylase in complex with iron, 2-oxoglutarate, and 6-OH-hyoscyamine | Descriptor: | (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, ... | Authors: | Wenger, E.W, Boal, A.K, Bollinger, J.M, Krebs, C. | Deposit date: | 2022-05-18 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structure of the L289F H6H cyclization reactant complex To Be Published
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8CVA
| Structure of Hyoscyamine 6-beta Hydroxylase in complex with iron, succinate, and 6-OH-hyoscyamine | Descriptor: | (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, ... | Authors: | Wenger, E.W, Boal, A.K, Bollinger, J.M, Krebs, C. | Deposit date: | 2022-05-18 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.581 Å) | Cite: | Structure of the H6H hydroxylation product complex To Be Published
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8CV8
| Structure of Hyoscyamine 6-beta Hydroxylase in complex with iron, 2-oxoglutarate, and hyoscyamine | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, FE (II) ION, ... | Authors: | Wenger, E.W, Boal, A.K, Bollinger, J.M, Krebs, C. | Deposit date: | 2022-05-18 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.532 Å) | Cite: | Structure of the H6H hydroxylation reactant complex To Be Published
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8CV9
| Structure of Hyoscyamine 6-beta Hydroxylase in complex with vanadyl, succinate, and hyoscyamine | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, Hyoscyamine 6-beta-hydroxylase, ... | Authors: | Wenger, E.W, Boal, A.K, Bollinger, J.M, Krebs, C. | Deposit date: | 2022-05-18 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structure of the H6H hydroxylation reactant complex To Be Published
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8CVE
| Structure of L289F Hyoscyamine 6-beta Hydroxylase in complex with iron, 2-oxoglutarate, and hyoscyamine | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, FE (II) ION, ... | Authors: | Wenger, E.W, Boal, A.K, Bollinger, J.M, Krebs, C. | Deposit date: | 2022-05-18 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Structure of the L289F H6H hydroxylation reactant complex To Be Published
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8ETN
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