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7PCM
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BU of 7pcm by Molmil
BurG (holo) in complex with (Z)-2,3-dihydroxy-6-methyl-hept-2-enoate (13): Biosynthesis of cyclopropanol rings in bacterial toxins
分子名称: (Z)-6-methyl-2,3-bis(oxidanyl)hept-2-enoic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Ketol-acid reductoisomerase, ...
著者Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C.
登録日2021-08-03
公開日2022-08-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead.
Nat.Chem., 14, 2022
7PCN
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BU of 7pcn by Molmil
BurG (holo) in complex with gonyenediol (14), trigonic acid (6) and DMS: Biosynthesis of cyclopropanol rings in bacterial toxins
分子名称: (2R)-2-oxidanyl-2-(1-oxidanylcyclopropyl)ethanoic acid, (METHYLSULFANYL)METHANE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C.
登録日2021-08-03
公開日2022-08-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead.
Nat.Chem., 14, 2022
7PCT
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BU of 7pct by Molmil
BurG E232Q mutant (holo) in complex with enol-oxalacetate (15): Biosynthesis of cyclopropanol rings in bacterial toxins
分子名称: (~{Z})-2-oxidanylbut-2-enedioic acid, GLYCEROL, Ketol-acid reductoisomerase, ...
著者Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C.
登録日2021-08-04
公開日2022-08-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead.
Nat.Chem., 14, 2022
5MR6
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BU of 5mr6 by Molmil
XiaF from Streptomyces sp. in complex with FADH2 and Glycerol
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, XiaF protein
著者Kugel, S, Baunach, M, Baer, P, Ishida-Ito, M, Sundaram, S, Xu, Z, Groll, M, Hertweck, C.
登録日2016-12-21
公開日2017-06-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Cryptic indole hydroxylation by a non-canonical terpenoid cyclase parallels bacterial xenobiotic detoxification.
Nat Commun, 8, 2017
5C1J
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BU of 5c1j by Molmil
Crystal Structure of native (reduced) CorB
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CorB
著者Zocher, G, Vilstrup, J, Stehle, T.
登録日2015-06-14
公開日2016-06-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis of head to head polyketide fusion by CorB.
Chem Sci, 6, 2015
7AYY
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BU of 7ayy by Molmil
Structure of the human 8-oxoguanine DNA Glycosylase hOGG1 in complex with activator TH10785
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, N-glycosylase/DNA lyase, ...
著者Masuyer, G, Davies, J.R, Stenmark, P.
登録日2020-11-13
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Small-molecule activation of OGG1 increases oxidative DNA damage repair by gaining a new function.
Science, 376, 2022
7AYZ
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BU of 7ayz by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with activator TH10785
分子名称: N-glycosylase/DNA lyase, NICKEL (II) ION, ~{N}-cyclohexyl-2-cyclopropyl-quinazolin-4-amine
著者Masuyer, G, Davies, J.R, Stenmark, P.
登録日2020-11-13
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Small-molecule activation of OGG1 increases oxidative DNA damage repair by gaining a new function.
Science, 376, 2022
7AZ0
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BU of 7az0 by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with TH12161
分子名称: 2-cyclopropyl-~{N}-(4-iodophenyl)quinazolin-4-amine, N-glycosylase/DNA lyase, NICKEL (II) ION
著者Davies, J.R, Masuyer, G, Stenmark, P.
登録日2020-11-13
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Small-molecule activation of OGG1 increases oxidative DNA damage repair by gaining a new function.
Science, 376, 2022
4YUF
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BU of 4yuf by Molmil
Crystal Structure of CorB
分子名称: CorB
著者Zocher, G, Vilstrup, J, Stehle, T.
登録日2015-03-18
公開日2016-03-30
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structural basis of head to head polyketide fusion by CorB.
Chem Sci, 6, 2015
4YUC
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BU of 4yuc by Molmil
Crystal Structure of CorB derivatized with S-(2-acetamidoethyl) 4-methyl-3-oxohexanethioate
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CorB, SODIUM ION
著者Zocher, G, Vilstrup, J, Stehle, T.
登録日2015-03-18
公開日2016-03-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Structural basis of head to head polyketide fusion by CorB.
Chem Sci, 6, 2015
4KC5
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BU of 4kc5 by Molmil
Crystal structure of the C-terminal part of RhiE from Burkholderia rhizoxinica
分子名称: GLYCEROL, RhiE protein
著者Zocher, G, Heim, J.B, Stehle, T.
登録日2013-04-24
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Vinylogous chain branching catalysed by a dedicated polyketide synthase module.
Nature, 502, 2013
5LX7
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BU of 5lx7 by Molmil
Cys-Gly dipeptidase GliJ mutant D38N
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dipeptidase, FE (III) ION, ...
著者Huber, E.M, Groll, M.
登録日2016-09-20
公開日2017-05-31
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
5LX0
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BU of 5lx0 by Molmil
Cys-Gly dipeptidase GliJ (space group P3221)
分子名称: Dipeptidase, FE (III) ION
著者Huber, E.M, Groll, M.
登録日2016-09-19
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
5LX1
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BU of 5lx1 by Molmil
Cys-Gly dipeptidase GliJ mutant D304A
分子名称: Dipeptidase, FE (III) ION, GLYCEROL
著者Huber, E.M, Groll, M.
登録日2016-09-19
公開日2017-05-31
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
5LX4
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BU of 5lx4 by Molmil
Cys-Gly dipeptidase GliJ mutant D38H
分子名称: Dipeptidase, FE (III) ION, GLYCEROL
著者Huber, E.M, Groll, M.
登録日2016-09-20
公開日2017-05-31
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
5LWZ
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BU of 5lwz by Molmil
Cys-Gly dipeptidase GliJ (space group C2)
分子名称: Dipeptidase, FE (III) ION, GLYCEROL
著者Huber, E.M, Groll, M.
登録日2016-09-19
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
5NRU
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BU of 5nru by Molmil
Cys-Gly dipeptidase GliJ in complex with Zn2+
分子名称: CHLORIDE ION, Dipeptidase gliJ, ZINC ION
著者Groll, M, Huber, E.M.
登録日2017-04-25
公開日2017-05-31
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
5NRX
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BU of 5nrx by Molmil
Cys-Gly dipeptidase GliJ in complex with Fe2+
分子名称: CHLORIDE ION, Dipeptidase gliJ, FE (III) ION
著者Groll, M, Huber, E.M.
登録日2017-04-25
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
5NS2
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BU of 5ns2 by Molmil
Cys-Gly dipeptidase GliJ in complex with Co2+
分子名称: CHLORIDE ION, COBALT (II) ION, Dipeptidase gliJ, ...
著者Groll, M, Huber, E.M.
登録日2017-04-25
公開日2017-05-31
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
5NRT
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BU of 5nrt by Molmil
Cys-Gly dipeptidase GliJ in complex with Ca2+
分子名称: CALCIUM ION, Dipeptidase gliJ, MAGNESIUM ION
著者Groll, M, Huber, E.M.
登録日2017-04-25
公開日2017-05-31
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
5NS1
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BU of 5ns1 by Molmil
Cys-Gly dipeptidase GliJ in complex with Ni2+
分子名称: CHLORIDE ION, Dipeptidase gliJ, NICKEL (II) ION
著者Groll, M, Huber, E.M.
登録日2017-04-25
公開日2017-05-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
5NRZ
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BU of 5nrz by Molmil
Cys-Gly dipeptidase GliJ in complex with Mn2+
分子名称: CHLORIDE ION, Dipeptidase gliJ, GLYCEROL, ...
著者Groll, M, Huber, E.M.
登録日2017-04-25
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
5NS5
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BU of 5ns5 by Molmil
Cys-Gly dipeptidase GliJ in complex with Cu2+ and Zn2+
分子名称: CHLORIDE ION, COPPER (II) ION, Dipeptidase gliJ, ...
著者Groll, M, Huber, E.M.
登録日2017-04-25
公開日2017-05-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
5NRY
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BU of 5nry by Molmil
Cys-Gly dipeptidase GliJ in complex with Fe3+
分子名称: CHLORIDE ION, Dipeptidase gliJ, FE (III) ION
著者Groll, M, Huber, E.M.
登録日2017-04-25
公開日2017-05-31
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
7NCL
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BU of 7ncl by Molmil
Glutathione-S-transferase GliG mutant E82Q
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Glutathione S-transferase GliG
著者Groll, M, Huber, E.M.
登録日2021-01-29
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021

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件を2024-11-06に公開中

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