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PDB: 109 results

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
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
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
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
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
7TOL
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BU of 7tol by Molmil
X-ray crystal structure of glycerol dibiphytanyl glycerol tetraether - macrocyclic archaeol synthase (GDGT-MAS) from Methanocaldococcus jannaschii with archaeal lipid, 5'deoxyadenosine, and methionine bound
Descriptor: 3-PHOSPHORYL-[1,2-DI-PHYTANYL]GLYCEROL, 3-[GLYCEROLYLPHOSPHONYL]-[1,2-DI-PHYTANYL]GLYCEROL, 5'-DEOXYADENOSINE, ...
Authors:Lloyd, C.T, Booker, S.J, Boal, A.K.
Deposit date:2022-01-24
Release date:2022-08-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Discovery, structure and mechanism of a tetraether lipid synthase.
Nature, 609, 2022
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
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
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
4D8F
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BU of 4d8f by Molmil
Chlamydia trachomatis NrdB with a Mn/Fe cofactor (procedure 1 - high Mn)
Descriptor: ACETIC ACID, FE (III) ION, MANGANESE (II) ION, ...
Authors:Dassama, L.M.K, Boal, A.K, Krebs, C, Rosenzweig, A.C, Bollinger Jr, J.M.
Deposit date:2012-01-10
Release date:2012-02-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Evidence that the beta subunit of Chlamydia trachomatis ribonucleotide reductase is active with the manganese ion of its manganese(IV)/iron(III) cofactor in site 1.
J.Am.Chem.Soc., 134, 2012
4D8G
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BU of 4d8g by Molmil
Chlamydia trachomatis NrdB with a Mn/Fe cofactor (procedure 2 - low Mn)
Descriptor: FE (III) ION, MANGANESE (II) ION, Ribonucleoside-diphosphate reductase subunit beta
Authors:Dassama, L.M.K, Boal, A.K, Krebs, C, Rosenzweig, A.C, Bollinger Jr, J.M.
Deposit date:2012-01-10
Release date:2012-02-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Evidence that the beta subunit of Chlamydia trachomatis ribonucleotide reductase is active with the manganese ion of its manganese(IV)/iron(III) cofactor in site 1.
J.Am.Chem.Soc., 134, 2012
8DQ2
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BU of 8dq2 by Molmil
X-ray crystal structure of Hansschlegelia quercus lanmodulin (LanM) with lanthanum (III) bound at pH 7
Descriptor: CITRIC ACID, EF-hand domain-containing protein, LANTHANUM (III) ION, ...
Authors:Jung, J.J, Lin, C.-Y, Boal, A.K.
Deposit date:2022-07-18
Release date:2023-06-07
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Enhanced rare-earth separation with a metal-sensitive lanmodulin dimer.
Nature, 618, 2023
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
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
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
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
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
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
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
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
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
5IQU
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BU of 5iqu by Molmil
WelO5 G166D variant bound to Fe(II), 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, FE (II) ION, ...
Authors:Mitchell, A.J, Maggiolo, A.O, Boal, A.K.
Deposit date:2016-03-11
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural basis for halogenation by iron- and 2-oxo-glutarate-dependent enzyme WelO5.
Nat.Chem.Biol., 12, 2016
5IQS
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BU of 5iqs by Molmil
WelO5 bound to Fe(II), Cl, and 2-oxoglutarate
Descriptor: 2-OXOGLUTARIC ACID, CHLORIDE ION, FE (II) ION, ...
Authors:Mitchell, A.J, Ananth, N, Boal, A.K.
Deposit date:2016-03-11
Release date:2016-06-29
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for halogenation by iron- and 2-oxo-glutarate-dependent enzyme WelO5.
Nat.Chem.Biol., 12, 2016

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