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6VUE
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BU of 6vue by Molmil
wild-type choline TMA lyase in complex with 1-methyl-1,2,3,6-tetrahydropyridin-3-ol
Descriptor: (3S)-1-methyl-1,2,3,6-tetrahydropyridin-3-ol, Choline trimethylamine-lyase, SODIUM ION
Authors:Ortega, M.A, Drennan, C.L.
Deposit date:2020-02-15
Release date:2020-11-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Discovery of a Cyclic Choline Analog That Inhibits Anaerobic Choline Metabolism by Human Gut Bacteria.
Acs Med.Chem.Lett., 11, 2020
6VXC
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BU of 6vxc by Molmil
Crystal structure of hydroxyproline dehydratase (HypD) from Clostridioides difficile
Descriptor: GLYCEROL, Trans-4-hydroxy-L-proline dehydratase
Authors:Backman, L.R.F, Drennan, C.L.
Deposit date:2020-02-21
Release date:2020-04-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Molecular basis for catabolism of the abundant metabolitetrans-4-hydroxy-L-proline by a microbial glycyl radical enzyme.
Elife, 9, 2020
6VWZ
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BU of 6vwz by Molmil
Crystal structure of air-exposed C45G/T50C D. vulgaris carbon monoxide dehydrogenase (20 minute air exposure)
Descriptor: Carbon monoxide dehydrogenase, Fe(4)-Ni(1)-S(4) cluster, oxidized, ...
Authors:Wittenborn, E.C, Drennan, C.L.
Deposit date:2020-02-20
Release date:2020-07-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.488 Å)
Cite:The Solvent-Exposed Fe-S D-Cluster Contributes to Oxygen-Resistance inDesulfovibrio vulgarisNi-Fe Carbon Monoxide Dehydrogenase.
Acs Catalysis, 10, 2020
6VXE
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BU of 6vxe by Molmil
Crystal structure of hydroxyproline dehydratase (HypD) from Clostridioides difficile with substrate trans-4-hydroxy-L-proline bound
Descriptor: 4-HYDROXYPROLINE, Trans-4-hydroxy-L-proline dehydratase
Authors:Backman, L.R.F, Drennan, C.L.
Deposit date:2020-02-21
Release date:2020-04-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.464 Å)
Cite:Molecular basis for catabolism of the abundant metabolitetrans-4-hydroxy-L-proline by a microbial glycyl radical enzyme.
Elife, 9, 2020
6VX1
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BU of 6vx1 by Molmil
Crystal structure of air-exposed C45G/T50C D. vulgaris carbon monoxide dehydrogenase (2 day air exposure)
Descriptor: Carbon monoxide dehydrogenase, Fe(4)-Ni(1)-S(4) cluster, oxidized, ...
Authors:Wittenborn, E.C, Drennan, C.L.
Deposit date:2020-02-20
Release date:2020-07-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:The Solvent-Exposed Fe-S D-Cluster Contributes to Oxygen-Resistance inDesulfovibrio vulgarisNi-Fe Carbon Monoxide Dehydrogenase.
Acs Catalysis, 10, 2020
6VX0
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BU of 6vx0 by Molmil
Crystal structure of air-exposed C45G/T50C D. vulgaris carbon monoxide dehydrogenase (2 hour air exposure)
Descriptor: Carbon monoxide dehydrogenase, Fe(4)-Ni(1)-S(4) cluster, oxidized, ...
Authors:Wittenborn, E.C, Drennan, C.L.
Deposit date:2020-02-20
Release date:2020-07-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:The Solvent-Exposed Fe-S D-Cluster Contributes to Oxygen-Resistance inDesulfovibrio vulgarisNi-Fe Carbon Monoxide Dehydrogenase.
Acs Catalysis, 10, 2020
6X5K
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BU of 6x5k by Molmil
Crystal structure of CODH/ACS with carbon monoxide bound to the A-cluster
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, CARBON MONOXIDE, Carbon monoxide dehydrogenase/acetyl-CoA synthase subunit alpha, ...
Authors:Cohen, S.E, Wittenborn, E.C, Hendrickson, R, Drennan, C.L.
Deposit date:2020-05-26
Release date:2020-10-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Crystallographic Characterization of the Carbonylated A-Cluster in Carbon Monoxide Dehydrogenase/Acetyl-CoA Synthase
Acs Catalysis, 10, 2020
6WTE
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BU of 6wte by Molmil
Structure of radical S-adenosylmethionine methyltransferase, TsrM, from Kitasatospora setae with cobalamin and [4Fe-4S] cluster bound
Descriptor: 1,2-ETHANEDIOL, B12-binding domain-containing protein, COBALAMIN, ...
Authors:Knox, H.L, Chen, P.Y.-T, Drennan, C.L, Booker, S.J.
Deposit date:2020-05-02
Release date:2020-12-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structural basis for non-radical catalysis by TsrM, a radical SAM methylase.
Nat.Chem.Biol., 17, 2021
6WTF
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BU of 6wtf by Molmil
Structure of radical S-adenosylmethionine methyltransferase, TsrM, from Kitasatospora setae with tryptophan substrate and SAM analog (aza-SAM) bound
Descriptor: COBALAMIN, IRON/SULFUR CLUSTER, S-5'-AZAMETHIONINE-5'-DEOXYADENOSINE, ...
Authors:Knox, H.L, Chen, P.Y.-T, Drennan, C.L, Booker, S.J.
Deposit date:2020-05-02
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural basis for non-radical catalysis by TsrM, a radical SAM methylase.
Nat.Chem.Biol., 17, 2021
6XN6
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BU of 6xn6 by Molmil
ScoE with the CABA substrate bound and His299 and Arg157 flipped out
Descriptor: (3~{R})-3-(2-hydroxy-2-oxoethylamino)butanoic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Jonnalagadda, R, Drennan, C.L.
Deposit date:2020-07-02
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biochemical and crystallographic investigations into isonitrile formation by a nonheme iron-dependent oxidase/decarboxylase.
J.Biol.Chem., 296, 2021
6XPA
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BU of 6xpa by Molmil
ScoE with oxovanadium and the CABA substrate bound and His299 and Arg157 flipped out
Descriptor: (3~{R})-3-(2-hydroxy-2-oxoethylamino)butanoic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Jonnalagadda, R, Drennan, C.L.
Deposit date:2020-07-08
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Biochemical and crystallographic investigations into isonitrile formation by a nonheme iron-dependent oxidase/decarboxylase.
J.Biol.Chem., 296, 2021
5BWE
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BU of 5bwe by Molmil
Benzylsuccinate synthase alpha-beta-gamma complex with bound toluene and fumarate
Descriptor: FUMARIC ACID, IRON/SULFUR CLUSTER, TOLUENE, ...
Authors:Funk, M.A, Drennan, C.L.
Deposit date:2015-06-07
Release date:2015-08-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Substrate-bound Structures of Benzylsuccinate Synthase Reveal How Toluene Is Activated in Anaerobic Hydrocarbon Degradation.
J.Biol.Chem., 290, 2015
5C8F
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BU of 5c8f by Molmil
Crystal structure of light-exposed full-length Thermus thermophilus CarH bound to cobalamin
Descriptor: CHLORIDE ION, COBALAMIN, GLYCEROL, ...
Authors:Jost, M, Drennan, C.L.
Deposit date:2015-06-25
Release date:2015-09-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural basis for gene regulation by a B12-dependent photoreceptor.
Nature, 526, 2015
5C8A
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BU of 5c8a by Molmil
Crystal structure of a truncated form of Thermus thermophilus CarH bound to adenosylcobalamin (dark state)
Descriptor: 5'-DEOXYADENOSINE, COBALAMIN, GLYCEROL, ...
Authors:Jost, M, Drennan, C.L.
Deposit date:2015-06-25
Release date:2015-09-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis for gene regulation by a B12-dependent photoreceptor.
Nature, 526, 2015
5CI4
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BU of 5ci4 by Molmil
Ribonucleotide reductase beta subunit
Descriptor: MU-OXO-DIIRON, Ribonucleoside-diphosphate reductase 1, beta subunit, ...
Authors:Funk, M.A, Drennan, C.L.
Deposit date:2015-07-10
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Biophysical Characterization of Fluorotyrosine Probes Site-Specifically Incorporated into Enzymes: E. coli Ribonucleotide Reductase As an Example.
J.Am.Chem.Soc., 138, 2016
5CJW
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BU of 5cjw by Molmil
Isobutyryl-CoA mutase fused with bound adenosylcobalamin, GDP, Mg (holo-IcmF/GDP), and substrate pivalyl-coenzyme A
Descriptor: 5'-DEOXYADENOSINE, COBALAMIN, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Jost, M, Drennan, C.L.
Deposit date:2015-07-15
Release date:2015-09-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural Basis for Substrate Specificity in Adenosylcobalamin-dependent Isobutyryl-CoA Mutase and Related Acyl-CoA Mutases.
J.Biol.Chem., 290, 2015
5CNV
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BU of 5cnv by Molmil
Crystal structure of the dATP inhibited E. coli class Ia ribonucleotide reductase complex bound to GDP and TTP at 3.20 Angstroms resolution
Descriptor: 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Chen, P.Y.-T, Zimanyi, C.M, Funk, M.A, Drennan, C.L.
Deposit date:2015-07-18
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Molecular basis for allosteric specificity regulation in class Ia ribonucleotide reductase from Escherichia coli.
Elife, 5, 2016
5C8E
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BU of 5c8e by Molmil
Crystal structure of Thermus thermophilus CarH bound to adenosylcobalamin and a 26-bp DNA segment
Descriptor: 26-mer DNA segment containing the CarH operator sequence (antisense strand), 26-mer DNA segment containing the CarH operator sequence (sense strand), 5'-DEOXYADENOSINE, ...
Authors:Jost, M, Drennan, C.L.
Deposit date:2015-06-25
Release date:2015-09-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.89 Å)
Cite:Structural basis for gene regulation by a B12-dependent photoreceptor.
Nature, 526, 2015
5BWD
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BU of 5bwd by Molmil
Benzylsuccinate alpha-gamma bound to fumarate
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FUMARIC ACID, TETRAETHYLENE GLYCOL, ...
Authors:Funk, M.A, Drennan, C.L.
Deposit date:2015-06-07
Release date:2015-08-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Substrate-bound Structures of Benzylsuccinate Synthase Reveal How Toluene Is Activated in Anaerobic Hydrocarbon Degradation.
J.Biol.Chem., 290, 2015
5C4I
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BU of 5c4i by Molmil
Structure of an Oxalate Oxidoreductase
Descriptor: IRON/SULFUR CLUSTER, MAGNESIUM ION, Oxalate oxidoreductase subunit alpha, ...
Authors:Gibson, M.I, Brignole, E.J, Pierce, E, Can, M, Ragsdale, S.W, Drennan, C.L.
Deposit date:2015-06-18
Release date:2015-07-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.274 Å)
Cite:The Structure of an Oxalate Oxidoreductase Provides Insight into Microbial 2-Oxoacid Metabolism.
Biochemistry, 54, 2015
5C8D
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BU of 5c8d by Molmil
Crystal structure of full-length Thermus thermophilus CarH bound to adenosylcobalamin (dark state)
Descriptor: 5'-DEOXYADENOSINE, COBALAMIN, Light-dependent transcriptional regulator CarH
Authors:Jost, M, Drennan, C.L.
Deposit date:2015-06-25
Release date:2015-09-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for gene regulation by a B12-dependent photoreceptor.
Nature, 526, 2015
5CI3
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BU of 5ci3 by Molmil
Ribonucleotide reductase Y122 2,3,5-F3Y variant
Descriptor: MU-OXO-DIIRON, Ribonucleoside-diphosphate reductase 1 subunit beta, SULFATE ION
Authors:Funk, M.A, Drennan, C.L.
Deposit date:2015-07-10
Release date:2016-07-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Biophysical Characterization of Fluorotyrosine Probes Site-Specifically Incorporated into Enzymes: E. coli Ribonucleotide Reductase As an Example.
J.Am.Chem.Soc., 138, 2016
5CI2
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BU of 5ci2 by Molmil
Ribonucleotide reductase Y122 2,3,6-F3Y variant
Descriptor: MU-OXO-DIIRON, Ribonucleoside-diphosphate reductase 1 subunit beta, SULFATE ION
Authors:Funk, M.A, Drennan, C.L.
Deposit date:2015-07-10
Release date:2016-06-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Biophysical Characterization of Fluorotyrosine Probes Site-Specifically Incorporated into Enzymes: E. coli Ribonucleotide Reductase As an Example.
J.Am.Chem.Soc., 138, 2016
5CI1
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BU of 5ci1 by Molmil
Ribonucleotide reductase Y122 2,3-F2Y variant
Descriptor: CHLORIDE ION, MU-OXO-DIIRON, Ribonucleoside-diphosphate reductase 1, ...
Authors:Funk, M.A, Drennan, C.L.
Deposit date:2015-07-10
Release date:2016-06-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Biophysical Characterization of Fluorotyrosine Probes Site-Specifically Incorporated into Enzymes: E. coli Ribonucleotide Reductase As an Example.
J.Am.Chem.Soc., 138, 2016
5CJV
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BU of 5cjv by Molmil
Isobutyryl-CoA mutase fused with bound adenosylcobalamin, GDP, Mg (holo-IcmF/GDP), and substrate isovaleryl-coenzyme A
Descriptor: 5'-DEOXYADENOSINE, COBALAMIN, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Jost, M, Drennan, C.L.
Deposit date:2015-07-15
Release date:2015-09-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Structural Basis for Substrate Specificity in Adenosylcobalamin-dependent Isobutyryl-CoA Mutase and Related Acyl-CoA Mutases.
J.Biol.Chem., 290, 2015

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