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6Q7V
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BU of 6q7v by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with compound 11
分子名称: Transcriptional regulator MvfR, ~{N}4-[(4-fluorophenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine
著者Witzgall, F, Blankenfeldt, W.
登録日2018-12-13
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Flexible Fragment Growing Boosts Potency of Quorum-Sensing Inhibitors against Pseudomonas aeruginosa Virulence.
Chemmedchem, 15, 2020
7NBW
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BU of 7nbw by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with a pyridin agonist
分子名称: Transcriptional regulator MvfR, ~{N}-[3-(4-fluorophenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine
著者Schmelz, S, Blankenfeldt, W.
登録日2021-01-28
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Divergent synthesis and biological evaluation of 2-(trifluoromethyl)pyridines as virulence-attenuating inverse agonists targeting PqsR.
Eur.J.Med.Chem., 226, 2021
7OC5
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BU of 7oc5 by Molmil
Alpha-humulene synthase AsR6 from Sarocladium schorii
分子名称: Alpha-humulene synthase AsR6, MAGNESIUM ION, ZINC ION
著者Schotte, C, Lukat, P, Deuschmann, A, Blankenfeldt, W, Cox, R.J.
登録日2021-04-26
公開日2021-07-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Understanding and Engineering the Stereoselectivity of Humulene Synthase.
Angew.Chem.Int.Ed.Engl., 60, 2021
7OC6
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BU of 7oc6 by Molmil
Selenomethionine derivative of alpha-humulene synthase AsR6 from Sarocladium schorii
分子名称: Alpha-humulene synthase asR6, GLYCEROL, SULFATE ION, ...
著者Schotte, C, Lukat, P, Deuschmann, A, Blankenfeldt, W, Cox, R.J.
登録日2021-04-26
公開日2021-07-07
最終更新日2021-09-15
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Understanding and Engineering the Stereoselectivity of Humulene Synthase.
Angew.Chem.Int.Ed.Engl., 60, 2021
7OC4
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BU of 7oc4 by Molmil
Alpha-humulene synthase AsR6 from Sarocladium schorii in complex with thiolodiphosphate and a cyclized reaction product.
分子名称: (1E,4E,8E)-2,6,6,9-Tetramethyl-1,4-8-cycloundecatriene, (R,R)-2,3-BUTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Schotte, C, Lukat, P, Deuschmann, A, Blankenfeldt, W, Cox, R.J.
登録日2021-04-26
公開日2021-07-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Understanding and Engineering the Stereoselectivity of Humulene Synthase.
Angew.Chem.Int.Ed.Engl., 60, 2021
7OZQ
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BU of 7ozq by Molmil
Crystal structure of archaeal L7Ae bound to eukaryotic kink-loop
分子名称: 50S ribosomal protein L7Ae, ACETATE ION, CALCIUM ION, ...
著者Hoefler, S, Lukat, P, Carlomagno, T, Blankenfeldt, W.
登録日2021-06-28
公開日2021-10-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Eukaryotic Box C/D methylation machinery has two non-symmetric protein assembly sites.
Sci Rep, 11, 2021
5MZW
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BU of 5mzw by Molmil
Crystal structure of the decarboxylase AibA/AibB
分子名称: GLYCEROL, Glutaconate CoA-transferase family, subunit A, ...
著者Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W.
登録日2017-02-02
公開日2017-05-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus.
Angew. Chem. Int. Ed. Engl., 56, 2017
5MZY
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BU of 5mzy by Molmil
Crystal structure of the decarboxylase AibA/AibB in complex with a possible transition state analog
分子名称: (1~{R},2~{S})-2-methylcyclohexane-1-carboxylic acid, ACETATE ION, GLYCEROL, ...
著者Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W.
登録日2017-02-02
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus.
Angew. Chem. Int. Ed. Engl., 56, 2017
5N00
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BU of 5n00 by Molmil
Crystal structure of the decarboxylase AibA/AibB C56A variant
分子名称: ACETATE ION, Glutaconate CoA-transferase family, subunit A, ...
著者Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W.
登録日2017-02-02
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus.
Angew. Chem. Int. Ed. Engl., 56, 2017
5NCH
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BU of 5nch by Molmil
GriE apo form
分子名称: Leucine hydroxylase
著者Lukat, P, Blankenfeldt, W, Mueller, R.
登録日2017-03-05
公開日2017-10-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.819 Å)
主引用文献Biosynthesis of methyl-proline containing griselimycins, natural products with anti-tuberculosis activity.
Chem Sci, 8, 2017
5N03
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BU of 5n03 by Molmil
Crystal structure of the decarboxylase AibA/AibB C56V variant
分子名称: ACETATE ION, Glutaconate CoA-transferase family, subunit A, ...
著者Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W.
登録日2017-02-02
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AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus.
Angew. Chem. Int. Ed. Engl., 56, 2017
5N02
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BU of 5n02 by Molmil
Crystal structure of the decarboxylase AibA/AibB C56S variant
分子名称: ACETATE ION, Glutaconate CoA-transferase family, subunit A, ...
著者Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W.
登録日2017-02-02
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus.
Angew. Chem. Int. Ed. Engl., 56, 2017
5MZZ
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BU of 5mzz by Molmil
Crystal structure of the decarboxylase AibA/AibB in complex with 3-methylglutaconate
分子名称: 3-methylpent-2-enedioic acid, ACETATE ION, GLYCEROL, ...
著者Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W.
登録日2017-02-02
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus.
Angew. Chem. Int. Ed. Engl., 56, 2017
5NCI
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BU of 5nci by Molmil
GriE in complex with cobalt, alpha-ketoglutarate and l-leucine
分子名称: 2-OXOGLUTARIC ACID, COBALT (II) ION, LEUCINE, ...
著者Lukat, P, Blankenfeldt, W, Mueller, R.
登録日2017-03-05
公開日2017-10-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.755 Å)
主引用文献Biosynthesis of methyl-proline containing griselimycins, natural products with anti-tuberculosis activity.
Chem Sci, 8, 2017
5N01
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BU of 5n01 by Molmil
Crystal structure of the decarboxylase AibA/AibB C56N variant
分子名称: ACETATE ION, GLYCEROL, Glutaconate CoA-transferase family, ...
著者Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W.
登録日2017-02-02
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus.
Angew. Chem. Int. Ed. Engl., 56, 2017
5NCJ
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BU of 5ncj by Molmil
GriE in complex with manganese, succinate and (2S,4R)-5-hydroxyleucine
分子名称: (2S,4R)-5-hydroxyleucine, Leucine hydroxylase, MANGANESE (II) ION, ...
著者Lukat, P, Blankenfeldt, W, Mueller, R.
登録日2017-03-05
公開日2017-10-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.529 Å)
主引用文献Biosynthesis of methyl-proline containing griselimycins, natural products with anti-tuberculosis activity.
Chem Sci, 8, 2017
5N5D
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BU of 5n5d by Molmil
Crystal Structure of the O-Methyltransferase TomG from Streptomyces achromogenes involved in Tomaymycin synthesis in complex with SAM
分子名称: (R,R)-2,3-BUTANEDIOL, GLYCEROL, Methyltransferase, ...
著者Pippel, J, Blankenfeldt, W.
登録日2017-02-13
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Total Biosynthesis of the Pyrrolo[4,2]benzodiazepine Scaffold Tomaymycin on an In Vitro Reconstituted NRPS System.
Cell Chem Biol, 24, 2017
5MZX
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BU of 5mzx by Molmil
Crystal structure of the decarboxylase AibA/AibB in complex with 4'-diphospho pantetheine
分子名称: 4'-diphospho pantetheine, ACETATE ION, GLYCEROL, ...
著者Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W.
登録日2017-02-02
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus.
Angew. Chem. Int. Ed. Engl., 56, 2017
8BRT
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BU of 8brt by Molmil
Crystal structure of a variant of penicillin G acylase from Bacillaceae i. s. sp. FJAT-27231 with reduced surface entropy and additionally engineered crystal contact
分子名称: (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R.
登録日2022-11-23
公開日2023-05-03
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Multistep Engineering of a Penicillin G Acylase for Systematic Improvement of Crystallization Efficiency
Cryst.Growth Des., 2023
8BRS
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BU of 8brs by Molmil
Crystal structure of a variant of penicillin G acylase from Bacillaceae i. s. sp. FJAT-27231 with reduced surface entropy and additionally engineered crystal contact.
分子名称: (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R.
登録日2022-11-23
公開日2023-05-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Multistep Engineering of a Penicillin G Acylase for Systematic Improvement of Crystallization Efficiency
Cryst.Growth Des., 2023
8BRQ
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BU of 8brq by Molmil
Crystal structure of a surface entropy reduction variant of penicillin G acylase from Bacillaceae i. s. sp. FJAT-27231
分子名称: (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R.
登録日2022-11-23
公開日2023-05-03
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Multistep Engineering of a Penicillin G Acylase for Systematic Improvement of Crystallization Efficiency
Cryst.Growth Des., 2023
8BRR
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BU of 8brr by Molmil
Crystal structure of a variant of penicillin G acylase from Bacillaceae i. s. sp. FJAT-27231 with reduced surface entropy and additionally engineered crystal contact
分子名称: (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R.
登録日2022-11-23
公開日2023-05-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Multistep Engineering of a Penicillin G Acylase for Systematic Improvement of Crystallization Efficiency
Cryst.Growth Des., 2023
8BTJ
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BU of 8btj by Molmil
Murine cytomegalovirus protein M35
分子名称: (R,R)-2,3-BUTANEDIOL, MALONATE ION, Protein M35
著者Schmelz, S, Van den Heuvel, J, Blankenfeldt, W.
登録日2022-11-29
公開日2023-10-11
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献The Cytomegalovirus M35 Protein Directly Binds to the Interferon-beta Enhancer and Modulates Transcription of Ifnb1 and Other IRF3-Driven Genes.
J.Virol., 97, 2023
3DZL
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BU of 3dzl by Molmil
Crystal structure of PhzA/B from Burkholderia cepacia R18194 in complex with (R)-3-oxocyclohexanecarboxylic acid
分子名称: (1R)-3-oxocyclohexanecarboxylic acid, Phenazine biosynthesis protein A/B
著者Ahuja, E.G, Mentel, M, Graebsch, A, Breinbauer, R, Blankenfeldt, W.
登録日2008-07-30
公開日2008-12-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献PhzA/B Catalyzes the Formation of the Tricycle in Phenazine Biosynthesis.
J.Am.Chem.Soc., 130, 2008
6YA1
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BU of 6ya1 by Molmil
Zinc metalloprotease ProA
分子名称: ACETATE ION, CALCIUM ION, ZINC ION, ...
著者Schmelz, S, Blankenfeldt, W.
登録日2020-03-11
公開日2021-02-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Zinc metalloprotease ProA of Legionella pneumophila increases alveolar septal thickness in human lung tissue explants by collagen IV degradation.
Cell.Microbiol., 23, 2021

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