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6DB2
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BU of 6db2 by Molmil
X-ray crystal structure of VioC bound to vanadyl ion, L-homoarginine, and succinate
Descriptor: 1,2-ETHANEDIOL, Alpha-ketoglutarate-dependent L-arginine hydroxylase, L-HOMOARGININE, ...
Authors:Dunham, N.P, Mitchell, A.J, Boal, A.K.
Deposit date:2018-05-02
Release date:2018-05-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Two Distinct Mechanisms for C-C Desaturation by Iron(II)- and 2-(Oxo)glutarate-Dependent Oxygenases: Importance of alpha-Heteroatom Assistance.
J. Am. Chem. Soc., 140, 2018
6DQX
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BU of 6dqx by Molmil
Actinobacillus ureae class Id ribonucleotide reductase alpha subunit
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:McBride, M.J, Palowitch, G.M, Boal, A.K.
Deposit date:2018-06-11
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structures of Class Id Ribonucleotide Reductase Catalytic Subunits Reveal a Minimal Architecture for Deoxynucleotide Biosynthesis.
Biochemistry, 58, 2019
6DAZ
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BU of 6daz by Molmil
X-ray crystal structure of VioC bound to Fe(II), 3S-hydroxy-L-homoarginine, and succinate
Descriptor: (3S)-N~6~-carbamimidoyl-3-hydroxy-L-lysine, Alpha-ketoglutarate-dependent L-arginine hydroxylase, FE (II) ION, ...
Authors:Dunham, N.P, Mitchell, A.J, Boal, A.K.
Deposit date:2018-05-02
Release date:2018-05-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Two Distinct Mechanisms for C-C Desaturation by Iron(II)- and 2-(Oxo)glutarate-Dependent Oxygenases: Importance of alpha-Heteroatom Assistance.
J. Am. Chem. Soc., 140, 2018
5V7O
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BU of 5v7o by Molmil
Crystal Structure of NosK from Streptomyces actuosus
Descriptor: NosK, SULFATE ION
Authors:Booker, S.J, Boal, A.K, Grove, T.L, Badding, E.D.
Deposit date:2017-03-20
Release date:2017-04-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Rerouting the Pathway for the Biosynthesis of the Side Ring System of Nosiheptide: The Roles of NosI, NosJ, and NosK.
J. Am. Chem. Soc., 139, 2017
5UY1
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BU of 5uy1 by Molmil
X-ray crystal structure of apo Halotag
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Haloalkane dehalogenase
Authors:Dunham, N.P, Boal, A.K.
Deposit date:2017-02-23
Release date:2017-03-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:The Cation-pi Interaction Enables a Halo-Tag Fluorogenic Probe for Fast No-Wash Live Cell Imaging and Gel-Free Protein Quantification.
Biochemistry, 56, 2017
5UXZ
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BU of 5uxz by Molmil
X-ray crystal structure of Halotag bound to the P9 benzothiadiazole fluorogenic ligand
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Haloalkane dehalogenase, ...
Authors:Dunham, N.P, Boal, A.K.
Deposit date:2017-02-23
Release date:2017-03-08
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The Cation-pi Interaction Enables a Halo-Tag Fluorogenic Probe for Fast No-Wash Live Cell Imaging and Gel-Free Protein Quantification.
Biochemistry, 56, 2017
8DQ4
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BU of 8dq4 by Molmil
X-ray crystal structure of Flavobacterium johnsoniae dimanganese(II) class Id ribonucleotide reductase beta subunit K71R variant
Descriptor: GLYCEROL, MANGANESE (II) ION, Ribonucleoside-diphosphate reductase
Authors:Rose, H.R, Maggiolo, A.O, Jung, J.J, Boal, A.K.
Deposit date:2022-07-18
Release date:2023-07-26
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:X-ray crystal structure of Flavobacterium johnsoniae dimanganese(II) class Id ribonucleotide reductase beta subunit K71R variant
To Be Published
8DQ3
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BU of 8dq3 by Molmil
X-ray crystal structure of Aggregatibacter actinomycetemcomitans dimanganese(II) class Id ribonucleotide reductase beta subunit
Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, MAGNESIUM ION, ...
Authors:Rose, H.R, Jung, J.J, Boal, A.K.
Deposit date:2022-07-18
Release date:2023-07-26
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:X-ray crystal structure of Aggregatibacter actinomycetemcomitans dimanganese(II) class Id ribonucleotide reductase beta subunit
To Be Published
8DQ5
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BU of 8dq5 by Molmil
X-ray crystal structure of Flavobacterium johnsoniae dimanganese(II) class Id ribonucleotide reductase T191I variant
Descriptor: MAGNESIUM ION, MANGANESE (II) ION, Ribonucleoside-diphosphate reductase
Authors:Rose, H.R, Boal, A.K.
Deposit date:2022-07-18
Release date:2023-07-26
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray crystal structure of Flavobacterium johnsoniae dimanganese(II) class Id ribonucleotide reductase T191I variant
To Be Published
7RON
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BU of 7ron by Molmil
Crystal structure of the Friedel-Crafts alkylating enzyme CylK from Cylindospermum licheniforme
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Ruskoski, T.B, Boal, A.K.
Deposit date:2021-07-31
Release date:2022-03-23
Last modified:2022-03-30
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural basis for an unprecedented enzymatic alkylation in cylindrocyclophane biosynthesis.
Elife, 11, 2022
7ROO
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BU of 7roo by Molmil
Crystal structure of Friedel-Crafts alkylating enzyme CylK from Cylindospermum licheniforme with bromide
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, CALCIUM ION, ...
Authors:Ruskoski, T.B, Boal, A.K.
Deposit date:2021-07-31
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structural basis for an unprecedented enzymatic alkylation in cylindrocyclophane biosynthesis.
Elife, 11, 2022
8E8W
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BU of 8e8w by Molmil
Crystal structure of SznF from Streptomyces achromogenes var. streptozoticus NRRL 2697 mononuclear Fe(II) structure on the HDO cofactor assembly pathway
Descriptor: Cupin domain-containing diiron protein, FE (II) ION
Authors:McBride, M.J, Boal, A.K.
Deposit date:2022-08-25
Release date:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of SznF from Streptomyces achromogenes var. streptozoticus NRRL 2697 mononuclear Fe(II) structure on the HDO cofactor assembly pathway
To Be Published
8FNS
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BU of 8fns by Molmil
X-ray crystal structure of Methylorubrum extorquens AM1 lanmodulin (LanM) with neodymium (III) bound at pH 7
Descriptor: EF-hand domain-containing protein, Neodymium Ion
Authors:Jung, J.J, Lin, C.-Y, Boal, A.K.
Deposit date:2022-12-28
Release date:2023-06-07
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Enhanced rare-earth separation with a metal-sensitive lanmodulin dimer.
Nature, 618, 2023
8FNR
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BU of 8fnr by Molmil
X-ray crystal structure of Hansschlegelia quercus lanmodulin (LanM) with dysprosium (III) bound at pH 7
Descriptor: DYSPROSIUM ION, EF-hand domain-containing protein
Authors:Jung, J.J, Lin, C.-Y, Boal, A.K.
Deposit date:2022-12-28
Release date:2023-06-07
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Enhanced rare-earth separation with a metal-sensitive lanmodulin dimer.
Nature, 618, 2023
7TOM
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BU of 7tom by Molmil
X-ray crystal structure of glycerol dibiphytanyl glycerol tetraether - macrocyclic archaeol synthase (GDGT-MAS) from Methanocaldococcus jannaschii with bacterial lipid substrate analog, 5'deoxyadenosine, and methionine bound
Descriptor: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, 5'-DEOXYADENOSINE, FE (III) ION, ...
Authors:Lloyd, C.T, Booker, S.J, Boal, A.K.
Deposit date:2022-01-24
Release date:2022-08-31
Last modified:2022-09-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery, structure and mechanism of a tetraether lipid synthase.
Nature, 609, 2022
7KDY
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BU of 7kdy by Molmil
Crystal structure of Streptomyces tokunonesis TokK with hydroxycobalamin, 5'-deoxyadenosine, methionine, and (2R)-pantetheinylated carbapenam
Descriptor: (2R,3R,5R)-3-{[2-({N-[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 5'-DEOXYADENOSINE, COBALAMIN, ...
Authors:Knox, H.L, Booker, S.J, Boal, A.K.
Deposit date:2020-10-09
Release date:2022-01-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.939 Å)
Cite:Structure of a B 12 -dependent radical SAM enzyme in carbapenem biosynthesis.
Nature, 602, 2022
7KDX
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BU of 7kdx by Molmil
Crystal structure of Streptomyces tokunonesis TokK with hydroxycobalamin, 5'-deoxyadenosine, and methionine
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXYADENOSINE, CHLORIDE ION, ...
Authors:Knox, H.L, Booker, S.J, Boal, A.K.
Deposit date:2020-10-09
Release date:2022-01-12
Last modified:2022-02-23
Method:X-RAY DIFFRACTION (1.791 Å)
Cite:Structure of a B 12 -dependent radical SAM enzyme in carbapenem biosynthesis.
Nature, 602, 2022
7KPI
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BU of 7kpi by Molmil
Crystal structure of the SPOP MATH domain
Descriptor: Speckle-type POZ protein
Authors:Usher, E.T, Boal, A.K.
Deposit date:2020-11-11
Release date:2021-04-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Intrinsically disordered substrates dictate SPOP subnuclear localization and ubiquitination activity.
J.Biol.Chem., 296, 2021
7KPK
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BU of 7kpk by Molmil
Crystal structure of the SPOP MATH domain in complex with a fragment of Pdx1
Descriptor: Pdx1 peptide, Speckle-type POZ protein
Authors:Usher, E.T, Boal, A.K.
Deposit date:2020-11-11
Release date:2021-04-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Intrinsically disordered substrates dictate SPOP subnuclear localization and ubiquitination activity.
J.Biol.Chem., 296, 2021
7TWA
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BU of 7twa by Molmil
Crystal structure of apo BesC from Streptomyces cattleya
Descriptor: 1,3-BUTANEDIOL, 4-chloro-allylglycine synthase, ACETATE ION, ...
Authors:Neugebauer, M.E, McBride, M.J, Boal, A.K, Chang, M.C.Y.
Deposit date:2022-02-07
Release date:2022-04-13
Last modified:2022-04-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Substrate-Triggered mu-Peroxodiiron(III) Intermediate in the 4-Chloro-l-Lysine-Fragmenting Heme-Oxygenase-like Diiron Oxidase (HDO) BesC: Substrate Dissociation from, and C4 Targeting by, the Intermediate.
Biochemistry, 61, 2022
5IQV
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BU of 5iqv by Molmil
WelO5 bound to Fe, Cl, 2-oxoglutarate, 12-epifischerindole U, and nitric oxide
Descriptor: (6aS,9R,10R,10aS)-9-ethyl-10-isocyano-6,6,9-trimethyl-5,6,6a,7,8,9,10,10a-octahydroindeno[2,1-b]indole, 2-OXOGLUTARIC ACID, CHLORIDE ION, ...
Authors:Mitchell, A.J, Boal, A.K.
Deposit date:2016-03-11
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for halogenation by iron- and 2-oxo-glutarate-dependent enzyme WelO5.
Nat.Chem.Biol., 12, 2016
5HR6
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BU of 5hr6 by Molmil
X-ray crystal structure of C118A RlmN with cross-linked tRNA purified from Escherichia coli
Descriptor: 5'-DEOXYADENOSINE, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
Authors:Schwalm, E.L, Grove, T.L, Booker, S.J, Boal, A.K.
Deposit date:2016-01-22
Release date:2016-04-13
Last modified:2016-04-27
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Crystallographic capture of a radical S-adenosylmethionine enzyme in the act of modifying tRNA.
Science, 352, 2016
5HR7
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BU of 5hr7 by Molmil
X-ray crystal structure of C118A RlmN from Escherichia coli with cross-linked in vitro transcribed tRNA
Descriptor: 5'-DEOXYADENOSINE, Dual-specificity RNA methyltransferase RlmN, IRON/SULFUR CLUSTER, ...
Authors:Schwalm, E.L, Grove, T.L, Booker, S.J, Boal, A.K.
Deposit date:2016-01-22
Release date:2016-04-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystallographic capture of a radical S-adenosylmethionine enzyme in the act of modifying tRNA.
Science, 352, 2016
5IQT
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BU of 5iqt by Molmil
WelO5 bound to Fe(II), Cl, 2-oxoglutarate, and 12-epifischerindole U
Descriptor: (6aS,9R,10R,10aS)-9-ethyl-10-isocyano-6,6,9-trimethyl-5,6,6a,7,8,9,10,10a-octahydroindeno[2,1-b]indole, 2-OXOGLUTARIC ACID, CHLORIDE ION, ...
Authors:Mitchell, A.J, Boal, A.K.
Deposit date:2016-03-11
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for halogenation by iron- and 2-oxo-glutarate-dependent enzyme WelO5.
Nat.Chem.Biol., 12, 2016
6MP9
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BU of 6mp9 by Molmil
X-ray crystal structure of VioC bound to Fe(II), 2-oxo-5-guanidinopentanoic acid, and succinate
Descriptor: 5-carbamimidamido-2-oxopentanoic acid, Alpha-ketoglutarate-dependent L-arginine hydroxylase, FE (II) ION, ...
Authors:Dunham, N.P, Boal, A.K.
Deposit date:2018-10-05
Release date:2018-11-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:alpha-Amine Desaturation of d-Arginine by the Iron(II)- and 2-(Oxo)glutarate-Dependent l-Arginine 3-Hydroxylase, VioC.
Biochemistry, 57, 2018

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