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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)
Descriptor: 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
Authors:Ge, W, Clifton, I.J, Adlington, R.M, Baldwin, J.E, Rutledge, P.J.
Deposit date:2007-09-10
Release date:2008-09-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Crystal Structure of an Lll-Configured Depsipeptide Substrate Analogue Bound to Isopenicillin N Synthase.
Org.Biomol.Chem., 8, 2010
2VBP
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BU of 2vbp by Molmil
Isopenicillin N synthase with substrate analogue L,L,L-ACAB (unexposed)
Descriptor: FE (II) ION, ISOPENICILLIN N SYNTHETASE, N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine, ...
Authors:Ge, W, Clifton, I.J, Adlington, R.M, Baldwin, J.E, Rutledge, P.J.
Deposit date:2007-09-14
Release date:2008-11-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystallographic Studies on the Binding of Selectively Deuterated Lld- and Lll-Substrate Epimers by Isopenicillin N Synthase.
Biochem.Biophys.Res.Commun., 398, 2010
1QJF
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BU of 1qjf by Molmil
ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (Monocyclic Sulfoxide - Fe COMPLEX)
Descriptor: 1-[(1S)-CARBOXY-2-(METHYLSULFINYL)ETHYL]-(3R)-[(5S)-5-AMINO-5-CARBOXYPENTANAMIDO]-(4R)-SULFANYLAZETIDIN-2-ONE, FE (II) ION, ISOPENICILLIN N SYNTHASE, ...
Authors:Rutledge, P.J, Clifton, I.J, Burzlaff, N.I, Roach, P.L, Adlington, R.M, Baldwin, J.E.
Deposit date:1999-06-23
Release date:2000-06-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The Reaction Cycle of Isopenicillin N Synthase Observed by X-Ray Diffraction
Nature, 401, 1999
1QJE
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BU of 1qje by Molmil
Isopenicillin N synthase from Aspergillus nidulans (IP1 - Fe complex)
Descriptor: FE (II) ION, ISOPENICILLIN N, ISOPENICILLIN N SYNTHASE, ...
Authors:Burzlaff, N.I, Clifton, I.J, Rutledge, P.J, Roach, P.L, Adlington, R.M, Baldwin, J.E.
Deposit date:1999-06-23
Release date:2000-06-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:The Reaction Cycle of Isopenicillin N Synthase Observed by X-Ray Diffraction
Nature, 401, 1999
6JYV
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BU of 6jyv by Molmil
Structure of an isopenicillin N synthase from Pseudomonas aeruginosa PAO1
Descriptor: Probable iron/ascorbate oxidoreductase, SODIUM ION
Authors:Hao, Z, Che, S, Wang, R, Liu, R, Zhang, Q, Bartlam, M.
Deposit date:2019-04-28
Release date:2019-05-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.651 Å)
Cite:Structural characterization of an isopenicillin N synthase family oxygenase from Pseudomonas aeruginosa PAO1.
Biochem.Biophys.Res.Commun., 514, 2019
5C3P
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BU of 5c3p by Molmil
Crystal structure of the full-length Neurospora crassa T7H in complex with alpha-KG
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, NICKEL (II) ION, ...
Authors:Li, W, Zhang, T, Ding, J.
Deposit date:2015-06-17
Release date:2015-10-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular basis for the substrate specificity and catalytic mechanism of thymine-7-hydroxylase in fungi
Nucleic Acids Res., 43, 2015
5C3S
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BU of 5c3s by Molmil
Crystal structure of the full-length Neurospora crassa T7H in complex with alpha-KG and 5-formyluracil (5fU)
Descriptor: 1,2-ETHANEDIOL, 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde, 2-OXOGLUTARIC ACID, ...
Authors:Li, W, Zhang, T, Ding, J.
Deposit date:2015-06-17
Release date:2015-10-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Molecular basis for the substrate specificity and catalytic mechanism of thymine-7-hydroxylase in fungi
Nucleic Acids Res., 43, 2015
5C3Q
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BU of 5c3q by Molmil
Crystal structure of the full-length Neurospora crassa T7H in complex with alpha-KG and thymine (T)
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, NICKEL (II) ION, ...
Authors:Li, W, Zhang, T, Ding, J.
Deposit date:2015-06-17
Release date:2015-10-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Molecular basis for the substrate specificity and catalytic mechanism of thymine-7-hydroxylase in fungi
Nucleic Acids Res., 43, 2015
5C3O
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BU of 5c3o by Molmil
Crystal structure of the C-terminal truncated Neurospora crassa T7H (NcT7HdeltaC) in apo form
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Thymine dioxygenase
Authors:Li, W, Zhang, T, Ding, J.
Deposit date:2015-06-17
Release date:2015-10-21
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis for the substrate specificity and catalytic mechanism of thymine-7-hydroxylase in fungi
Nucleic Acids Res., 43, 2015
5C3R
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BU of 5c3r by Molmil
Crystal structure of the full-length Neurospora crassa T7H in complex with alpha-KG and 5-hydroxymethyluracil (5hmU)
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, 5-HYDROXYMETHYL URACIL, ...
Authors:Li, W, Zhang, T, Ding, J.
Deposit date:2015-06-17
Release date:2015-10-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Molecular basis for the substrate specificity and catalytic mechanism of thymine-7-hydroxylase in fungi
Nucleic Acids Res., 43, 2015
6KWA
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BU of 6kwa by Molmil
AtDAO1(dioxygenase for auxin oxidation 1 from Arabidopsis thaliana)
Descriptor: 2-oxoglutarate (2OG) and Fe(II)-dependent oxygenase superfamily protein, MAGNESIUM ION
Authors:Rhee, S, Jin, S, Lee, H.
Deposit date:2019-09-06
Release date:2020-11-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.09429145 Å)
Cite:Crystal structure of the indole-3-acetic acid-catabolizing enzyme DAO1 from Arabidopsis thaliana.
J.Struct.Biol., 212, 2020
6KU3
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BU of 6ku3 by Molmil
Crystal structure of gibberellin 2-oxidase3 (GA2ox3)in rice
Descriptor: 2-OXOGLUTARIC ACID, GIBBERELLIN A4, GLYCEROL, ...
Authors:Takehara, S, Mikami, B, Sakuraba, S, Matsuoka, M, Ueguchi-Tanaka, M.
Deposit date:2019-08-30
Release date:2020-05-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A common allosteric mechanism regulates homeostatic inactivation of auxin and gibberellin.
Nat Commun, 11, 2020
6KUN
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BU of 6kun by Molmil
Crystal structure of dioxygenase for auxin oxidation (DAO) in rice
Descriptor: 1H-INDOL-3-YLACETIC ACID, 2-OXOGLUTARIC ACID, 2-oxoglutarate-dependent dioxygenase DAO, ...
Authors:Takehara, S, Mikami, B, Sakuraba, S, Matsuoka, M, Ueguchi-Tanaka, M.
Deposit date:2019-09-02
Release date:2020-05-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:A common allosteric mechanism regulates homeostatic inactivation of auxin and gibberellin.
Nat Commun, 11, 2020
6KWB
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BU of 6kwb by Molmil
AtDAO1(dioxygenase for auxin oxidation 1 from Arabidopsis thaliana) - 2-oxoglutarate binray complex
Descriptor: 2-OXOGLUTARIC ACID, 2-oxoglutarate (2OG) and Fe(II)-dependent oxygenase superfamily protein, MAGNESIUM ION
Authors:Rhee, S, Jin, S, Lee, H.
Deposit date:2019-09-06
Release date:2020-11-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5183928 Å)
Cite:Crystal structure of the indole-3-acetic acid-catabolizing enzyme DAO1 from Arabidopsis thaliana.
J.Struct.Biol., 212, 2020
6TTO
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BU of 6tto by Molmil
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:2024-11-06
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
6TTN
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BU of 6ttn by Molmil
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:2024-11-06
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
6TTM
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BU of 6ttm by Molmil
Hyoscyamine 6-hydroxylase in complex with N-oxalylglycine and hyoscyamine
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Hyoscyamine 6 beta-hydroxylase, ...
Authors:Kluza, A, Kurpiewska, K, Mrugala, B, Porebski, P.J, Niedzialkowska, E, Minor, W, Borowski, T.
Deposit date:2019-12-29
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.91 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
1HB2
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BU of 1hb2 by Molmil
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
8BB9
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BU of 8bb9 by Molmil
IPNS H270N variant in complex with Fe and ACV after O2 exposure
Descriptor: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
Authors:Rabe, P, Schofield, C.J.
Deposit date:2022-10-12
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:IPNS H270N variant in complex with Fe and ACV after O2 exposure
To Be Published
8BBA
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BU of 8bba by Molmil
IPNS H270N variant in complex with Fe and ACV under anaerobic conditions
Descriptor: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
Authors:Rabe, P, Schofield, C.J.
Deposit date:2022-10-12
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:IPNS H270N variant in complex with Fe and ACV under anaerobic conditions
To Be Published
8BBB
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BU of 8bbb by Molmil
IPNS H270A variant in complex with ACV exposed to O2
Descriptor: Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, SULFATE ION
Authors:Rabe, P, Schofield, C.J.
Deposit date:2022-10-12
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:IPNS H270A variant in complex with ACV exposed to O2
To Be Published
8BBD
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BU of 8bbd by Molmil
IPNS H270Q variant in complex with ACV after O2 exposure
Descriptor: Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, SULFATE ION
Authors:Rabe, P, Schofield, C.J.
Deposit date:2022-10-12
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:IPNS H270Q variant in complex ACV after O2 exposure
To Be Published
8BBC
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BU of 8bbc by Molmil
IPNS H270A variant in complex with Fe and ACV under anaerobic conditions
Descriptor: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
Authors:Rabe, P, Schofield, C.J.
Deposit date:2022-10-12
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:IPNS H270A variant in complex with Fe and ACV under anaerobic conditions
To Be Published
1HB1
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BU of 1hb1 by Molmil
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
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)
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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