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7LO1
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BU of 7lo1 by Molmil
FAD-dependent monooxygenase AfoD from A. nidulans
Descriptor: FAD-dependent monooxygenase afoD, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Rodriguez Benitez, A, Smith, J.L, Narayan, A.R.H.
Deposit date:2021-02-08
Release date:2022-04-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Deciphering the evolution of flavin-dependent monooxygenase stereoselectivity using ancestral sequence reconstruction.
Proc.Natl.Acad.Sci.USA, 120, 2023
6NES
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BU of 6nes by Molmil
FAD-dependent monooxygenase TropB from T. stipitatus
Descriptor: CHLORIDE ION, FAD-dependent monooxygenase tropB, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Rodriguez Benitez, A, Tweedy, S.E, Baker Dockrey, S.A, Lukowski, A.L, Wymore, T, Khare, D, Brooks, C.L, Palfey, B.A, Smith, J.L, Narayan, A.R.H.
Deposit date:2018-12-18
Release date:2019-08-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization.
Acs Catalysis, 9, 2019
6NET
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BU of 6net by Molmil
FAD-dependent monooxygenase TropB from T. stipitatus substrate complex
Descriptor: 2,4-dihydroxy-3,6-dimethylbenzaldehyde, CHLORIDE ION, FAD-dependent monooxygenase tropB, ...
Authors:Rodriguez Benitez, A, Tweedy, S.E, Baker Dockrey, S.A, Lukowski, A.L, Wymore, T, Khare, D, Brooks, C.L, Palfey, B.A, Smith, J.L, Narayan, A.R.H.
Deposit date:2018-12-18
Release date:2019-08-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization.
Acs Catalysis, 9, 2019
6NEU
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BU of 6neu by Molmil
FAD-dependent monooxygenase TropB from T. stipitatus R206Q variant
Descriptor: CHLORIDE ION, FAD-dependent monooxygenase tropB, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Rodriguez Benitez, A, Tweedy, S.E, Baker Dockrey, S.A, Lukowski, A.L, Wymore, T, Khare, D, Brooks, C.L, Palfey, B.A, Smith, J.L, Narayan, A.R.H.
Deposit date:2018-12-18
Release date:2019-08-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization.
Acs Catalysis, 9, 2019
6NEV
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BU of 6nev by Molmil
FAD-dependent monooxygenase TropB from T. stipitatus Y239F Variant
Descriptor: CHLORIDE ION, FAD-dependent monooxygenase tropB, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Rodriguez Benitez, A, Tweedy, S.E, Baker Dockrey, S.A, Lukowski, A.L, Wymore, T, Khare, D, Palfey, B.A, Smith, J.L, Narayan, A.R.H.
Deposit date:2018-12-18
Release date:2019-08-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization.
Acs Catalysis, 9, 2019
6U1R
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BU of 6u1r by Molmil
SxtG an amidinotransferase from the Microseira wollei in Saxitoxin biosynthetic pathway
Descriptor: FORMIC ACID, SxtG
Authors:Mallik, L, Lukowski, A.L, Narayan, A.R.H, Koutmos, M.
Deposit date:2019-08-16
Release date:2020-03-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.792 Å)
Cite:Substrate Promiscuity of a Paralytic Shellfish Toxin Amidinotransferase.
Acs Chem.Biol., 15, 2020
6XJJ
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BU of 6xjj by Molmil
Structure of non-heme iron enzyme TropC: Radical tropolone biosynthesis
Descriptor: 2-oxoglutarate-dependent dioxygenase tropC, ACETATE ION, FE (III) ION, ...
Authors:Mallik, L, Doyon, T.J, Narayan, A.R.H, Koutmos, M.
Deposit date:2020-06-24
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Radical Tropolone Biosynthesis
Chemrxiv, 2020
3ZK5
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BU of 3zk5 by Molmil
PikC D50N mutant bound to the 10-DML analog with the 3-(N,N-dimethylamino)ethanoate anchoring group
Descriptor: (3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl N,N-dimethylglycinate, CYTOCHROME P450 HYDROXYLASE PIKC, PROTOPORPHYRIN IX CONTAINING FE
Authors:Podust, L.M.
Deposit date:2013-01-21
Release date:2014-01-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Directing Group-Controlled Regioselectivity in an Enzymatic C-H Bond Oxygenation.
J.Am.Chem.Soc., 136, 2014
4B7S
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BU of 4b7s by Molmil
PikC D50N mutant bound to the 10-DML analog with the 3-(N,N- dimethylamino)propanoate anchoring group
Descriptor: CYTOCHROME P450 HYDROXYLASE PIKC, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Podust, L.M.
Deposit date:2012-08-21
Release date:2013-08-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Directing Group-Controlled Regioselectivity in an Enzymatic C-H Bond Oxygenation.
J.Am.Chem.Soc., 136, 2014
6WN3
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BU of 6wn3 by Molmil
Structure of the Rieske non-heme iron oxygenase SxtT
Descriptor: FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, ...
Authors:Bridwell-Rabb, J, Liu, J.
Deposit date:2020-04-22
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural basis for divergent C-H hydroxylation selectivity in two Rieske oxygenases.
Nat Commun, 11, 2020
6WNB
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BU of 6wnb by Molmil
Structure of the Rieske non-heme iron oxygenase SxtT with dideoxysaxitoxin bound
Descriptor: FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, ...
Authors:Bridwell-Rabb, J, Liu, J.
Deposit date:2020-04-22
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for divergent C-H hydroxylation selectivity in two Rieske oxygenases.
Nat Commun, 11, 2020
6WNC
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BU of 6wnc by Molmil
Structure of the Rieske non-heme iron oxygenase GxtA
Descriptor: FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, ...
Authors:Bridwell-Rabb, J, Liu, J.
Deposit date:2020-04-22
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for divergent C-H hydroxylation selectivity in two Rieske oxygenases.
Nat Commun, 11, 2020
6WND
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BU of 6wnd by Molmil
Structure of the Rieske non-heme iron oxygenase GxtA with dideoxysaxitoxin bound
Descriptor: CHLORIDE ION, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Bridwell-Rabb, J, Liu, J.
Deposit date:2020-04-22
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structural basis for divergent C-H hydroxylation selectivity in two Rieske oxygenases.
Nat Commun, 11, 2020
7SZH
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BU of 7szh by Molmil
Structure of the Rieske Non-heme Iron Oxygenase SxtT with beta-saxitoxinol Bound
Descriptor: CHLORIDE ION, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Bridwell-Rabb, J, Liu, J.
Deposit date:2021-11-27
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Design principles for site-selective hydroxylation by a Rieske oxygenase.
Nat Commun, 13, 2022
7SZE
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BU of 7sze by Molmil
Structure of the Rieske Non-heme Iron Oxygenase GxtA with Saxitoxin Bound
Descriptor: CHLORIDE ION, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Bridwell-Rabb, J, Liu, J.
Deposit date:2021-11-27
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Design principles for site-selective hydroxylation by a Rieske oxygenase.
Nat Commun, 13, 2022
7SZF
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BU of 7szf by Molmil
Structure of the Rieske Non-heme Iron Oxygenase GxtA with beta-Saxitoxinol Bound
Descriptor: CHLORIDE ION, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Bridwell-Rabb, J, Liu, J.
Deposit date:2021-11-27
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Design principles for site-selective hydroxylation by a Rieske oxygenase.
Nat Commun, 13, 2022
7SZG
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BU of 7szg by Molmil
Structure of the Rieske Non-heme Iron Oxygenase GxtA Pressurized with Xenon
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, FE (III) ION, ...
Authors:Bridwell-Rabb, J, Liu, J.
Deposit date:2021-11-27
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Design principles for site-selective hydroxylation by a Rieske oxygenase.
Nat Commun, 13, 2022
7UCH
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BU of 7uch by Molmil
AprA Methyltransferase 1 - GNAT in complex with Mn2+ , SAM, and Di-methyl-malonate
Descriptor: AprA Methyltransferase 1, GLYCEROL, MANGANESE (II) ION, ...
Authors:Skiba, M.A, Lao, Y, Smith, J.L.
Deposit date:2022-03-16
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structural Basis for Control of Methylation Extent in Polyketide Synthase Metal-Dependent C -Methyltransferases.
Acs Chem.Biol., 17, 2022
7UCL
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BU of 7ucl by Molmil
SxtA Methyltransferase variant F458H in complex with Mn2+ and malonate
Descriptor: MALONATE ION, MANGANESE (II) ION, Polyketide synthase-related protein
Authors:Lao, Y, Smith, J.L.
Deposit date:2022-03-16
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural Basis for Control of Methylation Extent in Polyketide Synthase Metal-Dependent C -Methyltransferases.
Acs Chem.Biol., 17, 2022
7UCI
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BU of 7uci by Molmil
SxtA Methyltransferase and decarboxylase didomain in complex with Mn2+ and SAH
Descriptor: GLYCEROL, MANGANESE (II) ION, Polyketide synthase-related protein, ...
Authors:Lao, Y, Skiba, M.A, Smith, J.L.
Deposit date:2022-03-16
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis for Control of Methylation Extent in Polyketide Synthase Metal-Dependent C -Methyltransferases.
Acs Chem.Biol., 17, 2022

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