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8QBH
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BU of 8qbh by Molmil
AntI in complex with 1-Naphthol
分子名称: 1-NAPHTHOL, Photorhabdus luminescens subsp. laumondii TTO1 complete genome segment 15/17
著者Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M.
登録日2023-08-24
公開日2024-03-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 11, 2024
7OLQ
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BU of 7olq by Molmil
Dioxygenase AsqJ mutant (V72I) in complex with 2 and Tris
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-Methoxydehydrocyclopeptin, BROMIDE ION, ...
著者Auman, D, Mader, S.L, Ecker, F, Dorst, K, Braeuer, A, Widmalm, G, Groll, M, Kaila, V.R.I.
登録日2021-05-20
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ.
J.Am.Chem.Soc., 144, 2022
8QD3
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BU of 8qd3 by Molmil
Ayg1p in complex with 1,3,6,8-Tetrahydroxynaphthalene
分子名称: 1,2-ETHANEDIOL, FLAVIOLIN, Pigment biosynthesis protein yellowish-green 1, ...
著者Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M.
登録日2023-08-28
公開日2024-03-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 11, 2024
8QBI
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BU of 8qbi by Molmil
AntI in closed state
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Photorhabdus luminescens subsp. laumondii TTO1 complete genome segment 15/17, ...
著者Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M.
登録日2023-08-24
公開日2024-03-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 11, 2024
7OLK
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BU of 7olk by Molmil
Dioxygenase AsqJ in complex with 2b and Tris
分子名称: (3~{Z})-4-methyl-3-(phenylmethylidene)-1~{H}-1,4-benzodiazepine-2,5-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BROMIDE ION, ...
著者Auman, D, Mader, S.L, Ecker, F, Dorst, K, Braeuer, A, Widmalm, G, Groll, M, Kaila, V.R.I.
登録日2021-05-20
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ.
J.Am.Chem.Soc., 144, 2022
7OLT
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BU of 7olt by Molmil
Dioxygenase AsqJ in complex with 2 and Tris
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-Methoxydehydrocyclopeptin, BROMIDE ION, ...
著者Auman, D, Mader, S.L, Ecker, F, Dorst, K, Braeuer, A, Widmalm, G, Groll, M, Kaila, V.R.I.
登録日2021-05-20
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ.
J.Am.Chem.Soc., 144, 2022
8QD5
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BU of 8qd5 by Molmil
AntI Ser245DHA (PSF)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Photorhabdus luminescens subsp. laumondii TTO1 complete genome segment 15/17, ...
著者Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M.
登録日2023-08-28
公開日2024-03-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 11, 2024
8QDA
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Wdyg1p Ser256DHA (PMSF)
分子名称: 1,2-ETHANEDIOL, TRIETHYLENE GLYCOL, Yellowish-green 1-like protein
著者Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M.
登録日2023-08-28
公開日2024-03-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 11, 2024
8QD9
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BU of 8qd9 by Molmil
Wdyg1p in complex with 1,3,6,8-Tetrahydroxynaphthalene
分子名称: 1,2-ETHANEDIOL, Yellowish-green 1-like protein, naphthalene-1,3,6,8-tetrol
著者Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M.
登録日2023-08-28
公開日2024-03-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 11, 2024
5EGP
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BU of 5egp by Molmil
Crystal structure of the S-methyltransferase TmtA
分子名称: ACETATE ION, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ...
著者Duell, E.R, Glaser, M, Antes, I, Groll, M, Huber, E.M.
登録日2015-10-27
公開日2016-02-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Sequential Inactivation of Gliotoxin by the S-Methyltransferase TmtA.
Acs Chem.Biol., 11, 2016
8OLL
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BU of 8oll by Molmil
Staphylococcus aureus ClpP in complex with the natural product beta-lactone inhibitor Cystargolide A at 2.7 A resolution
分子名称: ATP-dependent Clp protease proteolytic subunit, Cystargolide A (bound)
著者Illigmann, A, Vielberg, M.-T, Lakemeyer, M, Wolf, F, Staudt, N, Dema, T, Stange, P, Malik, I, Grond, S, Sieber, S.A, Groll, M, Kaysser, L, Broetz-Oesterhelt, H.
登録日2023-03-30
公開日2023-12-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of Staphylococcus aureus ClpP Bound to the Covalent Active-Site Inhibitor Cystargolide A.
Angew.Chem.Int.Ed.Engl., 63, 2024
8OLR
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BU of 8olr by Molmil
Structure of yeast 20S proteasome in complex with the natural product beta-lactone inhibitor Cystargolide A
分子名称: CHLORIDE ION, Cystargolide A (bound), MAGNESIUM ION, ...
著者Illigmann, A, Vielberg, M.-T, Lakemeyer, M, Wolf, F, Staudt, N, Dema, T, Stange, P, Malik, I, Grond, S, Sieber, S.A, Groll, M, Kaysser, L, Broetz-Oesterhelt, H.
登録日2023-03-30
公開日2023-12-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of Staphylococcus aureus ClpP Bound to the Covalent Active-Site Inhibitor Cystargolide A.
Angew.Chem.Int.Ed.Engl., 63, 2024
4EB3
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BU of 4eb3 by Molmil
Crystal structure of IspH in complex with iso-HMBPP
分子名称: 3-(hydroxymethyl)but-3-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER
著者Wang, W, Wang, K, Span, I, Bacher, A, Groll, M, Oldfield, E.
登録日2012-03-23
公開日2013-02-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Are free radicals involved in IspH catalysis? An EPR and crystallographic investigation.
J.Am.Chem.Soc., 134, 2012
4FFO
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BU of 4ffo by Molmil
PylC in complex with phosphorylated D-ornithine
分子名称: (2R)-2,5-diaminopentanoyl dihydrogen phosphate, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Quitterer, F, List, A, Beck, P, Bacher, A, Groll, M.
登録日2012-06-01
公開日2012-09-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biosynthesis of the 22nd genetically encoded amino acid pyrrolysine: structure and reaction mechanism of PylC at 1.5A resolution.
J.Mol.Biol., 424, 2012
4FFP
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BU of 4ffp by Molmil
PylC in complex with L-lysine-Ne-D-ornithine (cocrystallized with L-lysine and D-ornithine)
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N~6~-D-ornithyl-L-lysine, ...
著者Quitterer, F, List, A, Beck, P, Bacher, A, Groll, M.
登録日2012-06-01
公開日2012-09-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biosynthesis of the 22nd genetically encoded amino acid pyrrolysine: structure and reaction mechanism of PylC at 1.5A resolution.
J.Mol.Biol., 424, 2012
4FFL
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BU of 4ffl by Molmil
PylC in complex with L-lysine
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, ...
著者Quitterer, F, List, A, Beck, P, Bacher, A, Groll, M.
登録日2012-06-01
公開日2012-09-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Biosynthesis of the 22nd genetically encoded amino acid pyrrolysine: structure and reaction mechanism of PylC at 1.5A resolution.
J.Mol.Biol., 424, 2012
4FFN
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BU of 4ffn by Molmil
PylC in complex with D-ornithine and AMPPNP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, D-ORNITHINE, MAGNESIUM ION, ...
著者Quitterer, F, List, A, Beck, P, Bacher, A, Groll, M.
登録日2012-06-01
公開日2012-09-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Biosynthesis of the 22nd genetically encoded amino acid pyrrolysine: structure and reaction mechanism of PylC at 1.5A resolution.
J.Mol.Biol., 424, 2012
4FFM
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BU of 4ffm by Molmil
PylC in complex with L-lysine-Ne-D-ornithine (cocrystallized with L-lysine-Ne-D-ornithine)
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Quitterer, F, List, A, Beck, P, Bacher, A, Groll, M.
登録日2012-06-01
公開日2012-09-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Biosynthesis of the 22nd genetically encoded amino acid pyrrolysine: structure and reaction mechanism of PylC at 1.5A resolution.
J.Mol.Biol., 424, 2012
4FFR
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BU of 4ffr by Molmil
SeMet-labeled PylC (remote)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PylC
著者Quitterer, F, List, A, Beck, P, Bacher, A, Groll, M.
登録日2012-06-01
公開日2012-09-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biosynthesis of the 22nd genetically encoded amino acid pyrrolysine: structure and reaction mechanism of PylC at 1.5A resolution.
J.Mol.Biol., 424, 2012
6EK4
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BU of 6ek4 by Molmil
PaxB from Photorhabdus luminescens
分子名称: PaxB, SODIUM ION
著者Braeuning, B, Groll, M.
登録日2017-09-25
公開日2018-05-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure and mechanism of the two-component alpha-helical pore-forming toxin YaxAB.
Nat Commun, 9, 2018
6EL1
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BU of 6el1 by Molmil
YaxAB pore complex
分子名称: YaxA, YaxB
著者Braeuning, B, Bertosin, E, Dietz, H, Groll, M.
登録日2017-09-27
公開日2018-05-16
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (6.1 Å)
主引用文献Structure and mechanism of the two-component alpha-helical pore-forming toxin YaxAB.
Nat Commun, 9, 2018
5JHR
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BU of 5jhr by Molmil
Yeast 20S proteasome in complex with the peptidic epoxyketone inhibitor 27
分子名称: (2S)-2-azido-N-[(2S)-3-(biphenyl-4-yl)-1-{[(2S)-1-{[(2S,3S,4R)-3,5-dihydroxy-4-methylpentan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl]amino}-1-oxopropan-2-yl]-3-phenylpropanamide (non-preferred name), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Huber, E.M, Groll, M.
登録日2016-04-21
公開日2016-08-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-Based Design of beta 5c Selective Inhibitors of Human Constitutive Proteasomes.
J.Med.Chem., 59, 2016
5FGE
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BU of 5fge by Molmil
Yeast 20S proteasome beta5-H(-2)T-T1A double mutant in complex with Carfilzomib
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
著者Huber, E.M, Groll, M.
登録日2015-12-20
公開日2016-03-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome.
Nat Commun, 7, 2016
5JHS
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BU of 5jhs by Molmil
Yeast 20S proteasome in complex with the peptidic epoxyketone inhibitor 15
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
著者Huber, E.M, Groll, M.
登録日2016-04-21
公開日2016-08-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure-Based Design of beta 5c Selective Inhibitors of Human Constitutive Proteasomes.
J.Med.Chem., 59, 2016
5FGD
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BU of 5fgd by Molmil
Yeast 20S proteasome beta5-H(-2)L-T1A double mutant in complex with Carfilzomib
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
著者Huber, E.M, Groll, M.
登録日2015-12-20
公開日2016-03-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome.
Nat Commun, 7, 2016

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