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5VNP
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BU of 5vnp by Molmil
X-ray crystal structure of Halotag bound to the P1 benzoxadiazole fluorogenic ligand
Descriptor: CHLORIDE ION, Haloalkane dehalogenase, N-{2-[2-(hexyloxy)ethoxy]ethyl}-N~2~-methyl-N~2~-{[7-(methylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl}glycinamide
Authors:Dunham, N.P, Boal, A.K.
Deposit date:2017-05-01
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:AgHalo: A Facile Fluorogenic Sensor to Detect Drug-Induced Proteome Stress.
Angew. Chem. Int. Ed. Engl., 56, 2017
6P5Q
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BU of 6p5q by Molmil
X-ray structure of Fe(II)-soaked UndA bound to lauric acid
Descriptor: FE (III) ION, GLYCEROL, LAURIC ACID, ...
Authors:Rajakovich, L.J, Mitchell, A.J, Boal, A.K.
Deposit date:2019-05-30
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Substrate-Triggered Formation of a Peroxo-Fe2(III/III) Intermediate during Fatty Acid Decarboxylation by UndA.
J.Am.Chem.Soc., 141, 2019
6ONP
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BU of 6onp by Molmil
Crystal structure of periplasmic binding protein XoxJ from Methylobacterium extorquens AM1
Descriptor: 1,2-ETHANEDIOL, periplasmic binding protein XoxJ
Authors:Rose, H.R, Taylor, E.M, Boal, A.K.
Deposit date:2019-04-22
Release date:2019-05-08
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Biochemical and Structural Characterization of XoxG and XoxJ and Their Roles in Lanthanide-Dependent Methanol Dehydrogenase Activity.
Chembiochem, 20, 2019
6ONQ
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BU of 6onq by Molmil
Crystal structure of c-type cytochrome XoxG from Methylobacterium extorquens AM1
Descriptor: Cytochrome c XoxG, HEME C
Authors:McBride, M.J, Featherston, E.R, Boal, A.K.
Deposit date:2019-04-22
Release date:2019-05-08
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Biochemical and Structural Characterization of XoxG and XoxJ and Their Roles in Lanthanide-Dependent Methanol Dehydrogenase Activity.
Chembiochem, 20, 2019
6OXJ
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BU of 6oxj by Molmil
X-ray crystal structure of Y140F FtmOx1 bound to Fe(II)
Descriptor: FE (II) ION, Verruculogen synthase
Authors:Dunham, N.P, Boal, A.K.
Deposit date:2019-05-13
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Hydrogen Donation but not Abstraction by a Tyrosine (Y68) during Endoperoxide Installation by Verruculogen Synthase (FtmOx1).
J.Am.Chem.Soc., 141, 2019
6OXH
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BU of 6oxh by Molmil
X-ray crystal structure of His-tagged Y140F FtmOx1 bound to Fe(II) and 2-oxoglutarate
Descriptor: 2-OXOGLUTARIC ACID, FE (II) ION, Verruculogen synthase
Authors:Dunham, N.P, Boal, A.K.
Deposit date:2019-05-13
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Hydrogen Donation but not Abstraction by a Tyrosine (Y68) during Endoperoxide Installation by Verruculogen Synthase (FtmOx1).
J.Am.Chem.Soc., 141, 2019
6EBO
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BU of 6ebo by Molmil
Crystal Structure of the Class Ie Ribonucleotide Reductase Beta Subunit from Aerococcus urinae in Unactivated Form
Descriptor: CALCIUM ION, GLYCEROL, Ribonucleoside-diphosphate reductase, ...
Authors:Palowitch, G.M, Alapati, R.B, Boal, A.K.
Deposit date:2018-08-06
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Metal-free class Ie ribonucleotide reductase from pathogens initiates catalysis with a tyrosine-derived dihydroxyphenylalanine radical.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6EBQ
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BU of 6ebq by Molmil
Crystal Structure of the Flavoprotein NrdI from Aerococcus urinae in Oxidized Form
Descriptor: FLAVIN MONONUCLEOTIDE, Protein NrdI
Authors:Palowitch, G.M, Alapati, R.B, Boal, A.K.
Deposit date:2018-08-06
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Metal-free class Ie ribonucleotide reductase from pathogens initiates catalysis with a tyrosine-derived dihydroxyphenylalanine radical.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6EBZ
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BU of 6ebz by Molmil
Crystal Structure of the Class Ie Ribonucleotide Reductase Beta Subunit from Aerococcus urinae in Activated Form with Thiocyanate Bound
Descriptor: CALCIUM ION, GLYCEROL, Ribonucleoside-diphosphate reductase, ...
Authors:Palowitch, G.M, Boal, A.K.
Deposit date:2018-08-07
Release date:2018-09-19
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Metal-free class Ie ribonucleotide reductase from pathogens initiates catalysis with a tyrosine-derived dihydroxyphenylalanine radical.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6EBP
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BU of 6ebp by Molmil
Crystal Structure of the Class Ie Ribonucleotide Reductase Beta Subunit from Aerococcus urinae in Activated Form
Descriptor: CALCIUM ION, GLYCEROL, Ribonucleoside-diphosphate reductase, ...
Authors:Palowitch, G.M, Boal, A.K.
Deposit date:2018-08-06
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Metal-free class Ie ribonucleotide reductase from pathogens initiates catalysis with a tyrosine-derived dihydroxyphenylalanine radical.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6EDH
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BU of 6edh by Molmil
Taurine:2OG dioxygenase (TauD) bound to the vanadyl ion, taurine, and succinate
Descriptor: 2-AMINOETHANESULFONIC ACID, ACETATE ION, Alpha-ketoglutarate-dependent taurine dioxygenase, ...
Authors:Davis, K.M, Altmyer, M, Boal, A.K.
Deposit date:2018-08-09
Release date:2019-08-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.73000407 Å)
Cite:Structure of a Ferryl Mimic in the Archetypal Iron(II)- and 2-(Oxo)-glutarate-Dependent Dioxygenase, TauD.
Biochemistry, 58, 2019
6M9R
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BU of 6m9r by Molmil
Crystal structure of SznF from Streptomyces achromogenes var. streptozoticus NRRL 2697 with a bound N(delta)-hydroxy-N(omega)-methyl-L-arginine intermediate
Descriptor: (2S)-2-amino-5-{[(E)-amino(methylamino)methylidene](hydroxy)azaniumyl}pentanoate, FE (III) ION, SznF
Authors:Rohac, R, Mitchell, A.J, Boal, A.K.
Deposit date:2018-08-24
Release date:2019-02-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:An N-nitrosating metalloenzyme constructs the pharmacophore of streptozotocin.
Nature, 566, 2019
6MP8
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BU of 6mp8 by Molmil
X-ray crystal structure of VioC bound to Fe(II), D-arginine, and 2-oxoglutarate
Descriptor: 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent L-arginine hydroxylase, D-ARGININE, ...
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
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
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
Descriptor: 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, ...
Authors:Davis, K.M, Copeland, R.A, Boal, A.K.
Deposit date:2020-02-01
Release date:2021-02-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.97 Å)
Cite: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
6NPB
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BU of 6npb by Molmil
X-ray crystal structure of TmpA, 2-trimethylaminoethylphosphonate hydroxylase, with Fe and 2OG
Descriptor: 2-OXOGLUTARIC ACID, FE (II) ION, SULFATE ION, ...
Authors:Rajakovich, L.J, Mitchell, A.J, Boal, A.K.
Deposit date:2019-01-17
Release date:2019-03-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:A New Microbial Pathway for Organophosphonate Degradation Catalyzed by Two Previously Misannotated Non-Heme-Iron Oxygenases.
Biochemistry, 58, 2019
6VZY
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BU of 6vzy by Molmil
Crystal structure of SznF from Streptomyces achromogenes var. streptozoticus NRRL 2697 with a diiron(II) central domain cofactor
Descriptor: Cupin domain-containing diiron protein, FE (II) ION
Authors:McBride, M.J, Boal, A.K.
Deposit date:2020-02-28
Release date:2021-01-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structure and assembly of the diiron cofactor in the heme-oxygenase-like domain of the N -nitrosourea-producing enzyme SznF.
Proc.Natl.Acad.Sci.USA, 118, 2021
6NPA
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BU of 6npa by Molmil
X-ray crystal structure of TmpB, (R)-1-hydroxy-2-trimethylaminoethylphosphonate oxygenase, with (R)-1-hydroxy-2-trimethylaminoethylphosphonate
Descriptor: (2R)-2-hydroxy-N,N,N-trimethyl-2-phosphonoethan-1-aminium, FE (II) ION, FE (III) ION, ...
Authors:Rajakovich, L.J, Mitchell, A.J, Boal, A.K.
Deposit date:2019-01-17
Release date:2019-03-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:A New Microbial Pathway for Organophosphonate Degradation Catalyzed by Two Previously Misannotated Non-Heme-Iron Oxygenases.
Biochemistry, 58, 2019
6NPC
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BU of 6npc by Molmil
X-ray crystal structure of TmpA, 2-trimethylaminoethylphosphonate hydroxylase, with Fe, 2OG, and 2-trimethylaminoethylphosphonate
Descriptor: 2-OXOGLUTARIC ACID, FE (II) ION, N,N,N-trimethyl-2-phosphonoethan-1-aminium, ...
Authors:Rajakovich, L.J, Mitchell, A.J, Boal, A.K.
Deposit date:2019-01-17
Release date:2019-03-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A New Microbial Pathway for Organophosphonate Degradation Catalyzed by Two Previously Misannotated Non-Heme-Iron Oxygenases.
Biochemistry, 58, 2019
6NPD
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BU of 6npd by Molmil
X-ray crystal structure of TmpA, 2-trimethylaminoethylphosphonate hydroxylase, with Fe, 2OG, and (R)-1-hydroxy-2-trimethylaminoethylphosphonate
Descriptor: (2R)-2-hydroxy-N,N,N-trimethyl-2-phosphonoethan-1-aminium, FE (II) ION, TmpA, ...
Authors:Rajakovich, L.J, Mitchell, A.J, Boal, A.K.
Deposit date:2019-01-17
Release date:2019-03-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:A New Microbial Pathway for Organophosphonate Degradation Catalyzed by Two Previously Misannotated Non-Heme-Iron Oxygenases.
Biochemistry, 58, 2019
6VP4
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BU of 6vp4 by Molmil
Ethylene forming enzyme (EFE) in complex with Fe(II), L-arginine, and 2OG
Descriptor: 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, ...
Authors:Davis, K.M, Copeland, R.A, Boal, A.K.
Deposit date:2020-02-01
Release date:2021-02-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.83 Å)
Cite: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
8CVF
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BU of 8cvf by Molmil
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
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
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
8CVD
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BU of 8cvd by Molmil
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
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
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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