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7LTB
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BU of 7ltb by Molmil
Crystal Structure of Keratinicyclin B
分子名称: (2~{S},4~{S},5~{R},6~{S})-4-azanyl-5-methoxy-6-methyl-oxan-2-ol, 3-ammonio-2,3,6-trideoxy-alpha-L-arabino-hexopyranose-(1-2)-beta-D-glucopyranose, FORMIC ACID, ...
著者Davis, K.M, Jeffrey, P.D, Seyedsayamdost, M.R.
登録日2021-02-19
公開日2022-12-07
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Potent and specific antibiotic combination therapy against Clostridioides difficile.
Nat.Chem.Biol., 20, 2024
7LKC
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BU of 7lkc by Molmil
Crystal Structure of Keratinimicin A
分子名称: (2~{S},4~{S},5~{R},6~{S})-4-azanyl-5-methoxy-6-methyl-oxan-2-ol, CHLORIDE ION, FORMIC ACID, ...
著者Davis, K.M, Jeffrey, P.D, Seyedsayamdost, M.R.
登録日2021-02-02
公開日2022-12-07
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Potent and specific antibiotic combination therapy against Clostridioides difficile.
Nat.Chem.Biol., 20, 2024
2XO4
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BU of 2xo4 by Molmil
RIBONUCLEOTIDE REDUCTASE Y730NH2Y MODIFIED R1 SUBUNIT OF E. COLI
分子名称: RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE 1 SUBUNIT ALPHA, RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE 1 SUBUNIT BETA
著者Minnihan, E.C, Seyedsayamdost, M.R, Uhlin, U, Stubbe, J.
登録日2010-08-09
公開日2010-08-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Kinetics of Radical Intermediate Formation and Deoxynucleotide Production in 3-Aminotyrosine- Substituted Escherichia Coli Ribonucleotide Reductases.
J.Am.Chem.Soc., 133, 2011
2XO5
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BU of 2xo5 by Molmil
RIBONUCLEOTIDE REDUCTASE Y731NH2Y MODIFIED R1 SUBUNIT OF E. COLI
分子名称: RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE 1 SUBUNIT ALPHA, RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE 1 SUBUNIT BETA
著者Minnihan, E.C, Seyedsayamdost, M.R, Uhlin, U, Stubbe, J.
登録日2010-08-09
公開日2010-08-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Kinetics of Radical Intermediate Formation and Deoxynucleotide Production in 3-Aminotyrosine- Substituted Escherichia Coli Ribonucleotide Reductases.
J.Am.Chem.Soc., 133, 2011
5UI7
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BU of 5ui7 by Molmil
Solution NMR Structure of Lasso Peptide Klebsidin
分子名称: Klebsidin
著者Bushin, L.B, Metelev, M, Severinov, K, Seyedsayamdost, M.R.
登録日2017-01-13
公開日2017-02-08
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Acinetodin and Klebsidin, RNA Polymerase Targeting Lasso Peptides Produced by Human Isolates of Acinetobacter gyllenbergii and Klebsiella pneumoniae.
ACS Chem. Biol., 12, 2017
5UI6
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BU of 5ui6 by Molmil
Solution NMR Structure of Lasso Peptide Acinetodin
分子名称: Acinetodin
著者Bushin, L.B, Metelev, M, Severinov, K, Seyedsayamdost, M.R.
登録日2017-01-12
公開日2017-02-08
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Acinetodin and Klebsidin, RNA Polymerase Targeting Lasso Peptides Produced by Human Isolates of Acinetobacter gyllenbergii and Klebsiella pneumoniae.
ACS Chem. Biol., 12, 2017
7T6C
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BU of 7t6c by Molmil
E. coli dihydroorotate dehydrogenase bound to the ubiquinone surrogate DCIP
分子名称: 2,6-bis(chloranyl)-4-[(4-hydroxyphenyl)amino]phenol, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Dihydroorotate dehydrogenase (quinone), ...
著者Horwitz, S.M, Ambarian, J.A, Davis, K.M.
登録日2021-12-13
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Structural insights into inhibition of the drug target dihydroorotate dehydrogenase by bacterial hydroxyalkylquinolines.
Rsc Chem Biol, 3, 2022
7T5K
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E. coli dihydroorotate dehydrogenase bound to the inhibitor HQNO
分子名称: 2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE, Dihydroorotate dehydrogenase (quinone), FLAVIN MONONUCLEOTIDE, ...
著者Horwitz, S.M, Ambarian, J.A, Davis, K.M.
登録日2021-12-12
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural insights into inhibition of the drug target dihydroorotate dehydrogenase by bacterial hydroxyalkylquinolines.
Rsc Chem Biol, 3, 2022
7T6H
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BU of 7t6h by Molmil
E. coli dihydroorotate dehydrogenase
分子名称: Dihydroorotate dehydrogenase (quinone), FLAVIN MONONUCLEOTIDE, OROTIC ACID
著者Horwitz, S.M, Ambarian, J.A, Davis, K.M.
登録日2021-12-13
公開日2022-03-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structural insights into inhibition of the drug target dihydroorotate dehydrogenase by bacterial hydroxyalkylquinolines.
Rsc Chem Biol, 3, 2022
7T5Y
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BU of 7t5y by Molmil
E. coli dihydroorotate dehydrogenase bound to the inhibitor HMNQ
分子名称: 3-methyl-2-[(2E)-non-2-en-1-yl]quinolin-4(1H)-one, Dihydroorotate dehydrogenase (quinone), FLAVIN MONONUCLEOTIDE, ...
著者Horwitz, S.M, Ambarian, J.A, Davis, K.M.
登録日2021-12-13
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structural insights into inhibition of the drug target dihydroorotate dehydrogenase by bacterial hydroxyalkylquinolines.
Rsc Chem Biol, 3, 2022
8U41
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BU of 8u41 by Molmil
OvsA from Halomonas utahensis, an ovoselenol-biosynthetic selenoxide synthase in complex with histidine
分子名称: FE (III) ION, FORMIC ACID, HISTIDINE, ...
著者Ireland, K.A, Davis, K.M.
登録日2023-09-08
公開日2024-07-17
最終更新日2024-08-28
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Discovery of the selenium-containing antioxidant ovoselenol derived from convergent evolution.
Nat.Chem., 2024
8U42
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BU of 8u42 by Molmil
OvsA from Halomonas utahensis, a selenoxide synthase involved in ovoselenol biosynthesis
分子名称: 1,2-ETHANEDIOL, FE (III) ION, FORMIC ACID, ...
著者Ireland, K.A, Davis, K.M.
登録日2023-09-08
公開日2024-07-17
最終更新日2024-08-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of the selenium-containing antioxidant ovoselenol derived from convergent evolution.
Nat.Chem., 2024
8TCC
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BU of 8tcc by Molmil
GTP Cyclohydrolase-IB with dehydrocostus lactone
分子名称: 1,2-ETHANEDIOL, GTP cyclohydrolase FolE2, MANGANESE (II) ION, ...
著者McWhorter, K.L, Amaya Lopez, C.Y, Davis, K.M.
登録日2023-06-30
公開日2024-07-03
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Combatting melioidosis with chemical synthetic lethality
To be published
8UX5
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BU of 8ux5 by Molmil
OvsA M401Y/Q430N/A431F from Halomonas utahensis, a hercynine-binding variant with selenoneine-biosynthetic activity
分子名称: FE (III) ION, SODIUM ION, Selenoxide synthase OvsA
著者Ireland, K.A, Davis, K.M.
登録日2023-11-08
公開日2024-07-17
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Discovery of the selenium-containing antioxidant ovoselenol derived from convergent evolution.
Nat.Chem., 2024
8VIL
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BU of 8vil by Molmil
EgtB-IV from Crocosphaera subtropica, an ergothioneine-biosynthetic type IV sulfoxide synthase in complex with N,N-dimethyl-histidine
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, FE (III) ION, ...
著者Ireland, K.A, Davis, K.M.
登録日2024-01-04
公開日2024-08-07
最終更新日2024-09-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural insights into the convergent evolution of sulfoxide synthase EgtB-IV, an ergothioneine-biosynthetic homolog of ovothiol synthase OvoA.
Structure, 2024
8VIH
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BU of 8vih by Molmil
EgtB-IV from Crocosphaera subtropica, an ergothioneine-biosynthetic type IV sulfoxide synthase in complex with hercynine
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, FE (III) ION, ...
著者Ireland, K.A, Davis, K.M.
登録日2024-01-04
公開日2024-08-07
最終更新日2024-09-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural insights into the convergent evolution of sulfoxide synthase EgtB-IV, an ergothioneine-biosynthetic homolog of ovothiol synthase OvoA.
Structure, 2024
8VIG
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BU of 8vig by Molmil
EgtB-IV from Geminocystis sp. isolate SKYG4, an ergothioneine-biosynthetic type IV sulfoxide synthase in complex with hercynine
分子名称: 1,2-ETHANEDIOL, FE (III) ION, N,N,N-trimethyl-histidine, ...
著者Ireland, K.A, Davis, K.M.
登録日2024-01-04
公開日2024-08-07
最終更新日2024-09-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights into the convergent evolution of sulfoxide synthase EgtB-IV, an ergothioneine-biosynthetic homolog of ovothiol synthase OvoA.
Structure, 2024
8VII
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BU of 8vii by Molmil
EgtB-IV from Crocosphaera subtropica, an ergothioneine-biosynthetic type IV sulfoxide synthase in complex with cysteine and hercynine
分子名称: 1,2-ETHANEDIOL, CYSTEINE, MANGANESE (II) ION, ...
著者Ireland, K.A, Davis, K.M.
登録日2024-01-04
公開日2024-08-07
最終更新日2024-09-11
実験手法X-RAY DIFFRACTION (1.621 Å)
主引用文献Structural insights into the convergent evolution of sulfoxide synthase EgtB-IV, an ergothioneine-biosynthetic homolog of ovothiol synthase OvoA.
Structure, 2024
8VIK
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BU of 8vik by Molmil
EgtB-IV from Crocosphaera subtropica, a type IV sulfoxide synthase involved in ergothioneine biosynthesis
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, FE (III) ION, ...
著者Ireland, K.A, Davis, K.M.
登録日2024-01-04
公開日2024-08-07
最終更新日2024-09-11
実験手法X-RAY DIFFRACTION (1.961 Å)
主引用文献Structural insights into the convergent evolution of sulfoxide synthase EgtB-IV, an ergothioneine-biosynthetic homolog of ovothiol synthase OvoA.
Structure, 2024
8FBX
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BU of 8fbx by Molmil
Selenosugar synthase SenB from Variovorax paradoxus
分子名称: CHLORIDE ION, SODIUM ION, Selenosugar synthase SenB
著者Ireland, K.A, Davis, K.M.
登録日2022-11-30
公開日2023-11-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural Characterization and Ligand-Induced Conformational Changes of SenB, a Se-Glycosyltransferase Involved in Selenoneine Biosynthesis.
Biochemistry, 62, 2023
8F91
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BU of 8f91 by Molmil
OxyB, a cytochrome P450 involved in keratinimicin biosynthesis
分子名称: OxyB, PROTOPORPHYRIN IX CONTAINING FE
著者Ireland, K.A, Davis, K.M.
登録日2022-11-22
公開日2023-07-19
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Robust Chemoenzymatic Synthesis of Keratinimicin Aglycone Analogues Facilitated by the Structure and Selectivity of OxyB.
Acs Chem.Biol., 18, 2023
8G6C
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BU of 8g6c by Molmil
GTP Cyclohydrolase-IB with manganese
分子名称: 1,2-ETHANEDIOL, GTP cyclohydrolase FolE2, MANGANESE (II) ION
著者McWhorter, K.L, Amaya Lopez, C.Y, Davis, K.M.
登録日2023-02-14
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Combatting melioidosis with chemical synthetic lethality
To Be Published
8G8V
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BU of 8g8v by Molmil
GTP Cyclohydrolase-IB with sodium
分子名称: 1,2-ETHANEDIOL, GTP cyclohydrolase FolE2, SODIUM ION, ...
著者McWhorter, K.L, Jhunjhunwala, R, Davis, K.M.
登録日2023-02-20
公開日2024-02-21
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Combatting melioidosis with chemical synthetic lethality
To Be Published
5V1Q
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BU of 5v1q by Molmil
Crystal structure of Streptococcus suis SuiB
分子名称: IRON/SULFUR CLUSTER, Radical SAM
著者Davis, K.M, Bacik, J.P, Ando, N.
登録日2017-03-02
公開日2017-08-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of the peptide-modifying radical SAM enzyme SuiB elucidate the basis of substrate recognition.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5V1S
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BU of 5v1s by Molmil
Crystal structure of Streptococcus suis SuiB bound to S-adenosylmethionine
分子名称: IRON/SULFUR CLUSTER, Radical SAM, S-ADENOSYLMETHIONINE
著者Davis, K.M, Bacik, J.P, Ando, N.
登録日2017-03-02
公開日2017-08-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.492 Å)
主引用文献Structures of the peptide-modifying radical SAM enzyme SuiB elucidate the basis of substrate recognition.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

 

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