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PDB: 243 件
2CIZ
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BU of 2ciz by Molmil
chloroperoxidase complexed with acetate
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kuhnel, K, Blankenfeldt, W, Terner, J, Schlichting, I.
登録日2006-03-26
公開日2006-06-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal Structures of Chloroperoxidase with its Bound Substrates and Complexed with Formate, Acetate, and Nitrate.
J.Biol.Chem., 281, 2006
2CJ0
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BU of 2cj0 by Molmil
chloroperoxidase complexed with nitrate
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kuhnel, K, Blankenfeldt, W, Terner, J, Schlichting, I.
登録日2006-03-26
公開日2006-06-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structures of Chloroperoxidase with its Bound Substrates and Complexed with Formate, Acetate, and Nitrate.
J.Biol.Chem., 281, 2006
2CJ1
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BU of 2cj1 by Molmil
chloroperoxidase complexed with formate (ethylene glycol cryoprotectant)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kuhnel, K, Blankenfeldt, W, Terner, J, Schlichting, I.
登録日2006-03-26
公開日2006-06-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structures of Chloroperoxidase with its Bound Substrates and Complexed with Formate, Acetate, and Nitrate.
J.Biol.Chem., 281, 2006
2CIX
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BU of 2cix by Molmil
chloroperoxidase complexed with cyclopentanedione
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kuhnel, K, Blankenfeldt, W, Terner, J, Schlichting, I.
登録日2006-03-26
公開日2006-06-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structures of Chloroperoxidase with its Bound Substrates and Complexed with Formate, Acetate, and Nitrate.
J.Biol.Chem., 281, 2006
2CIV
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BU of 2civ by Molmil
Chloroperoxidase bromide complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, CHLOROPEROXIDASE, ...
著者Kuhnel, K, Blankenfeldt, W, Terner, J, Schlichting, I.
登録日2006-03-26
公開日2006-06-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structures of Chloroperoxidase with its Bound Substrates and Complexed with Formate, Acetate, and Nitrate.
J.Biol.Chem., 281, 2006
8BCI
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BU of 8bci by Molmil
Crystal structure of short-chain dehydrogenase PA3128 from Pseudomonas aeruginosa PAO1
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Probable short-chain dehydrogenase
著者Popp, M.A, Vit, A, Blankenfeldt, W.
登録日2022-10-16
公開日2022-11-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The structure of short-chain dehydrogenase PA3128 from Pseudomonas aeruginosa PAO1
To Be Published
8BCJ
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BU of 8bcj by Molmil
Crystal structure of short-chain dehydrogenase PA3128 from Pseudomonas aeruginosa PAO1 in complex with NADP+
分子名称: IMIDAZOLE, L(+)-TARTARIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Popp, M.A, Vit, A, Blankenfeldt, W.
登録日2022-10-16
公開日2022-11-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献The structure of short-chain dehydrogenase PA3128 from Pseudomonas aeruginosa PAO1
To Be Published
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
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
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
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
4GTS
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BU of 4gts by Molmil
Engineered RabGGTase in complex with BMS analogue 16
分子名称: 5-{(3R)-3-(4-hydroxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}furan-2-carbaldehyde, CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, ...
著者Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S.
登録日2012-08-29
公開日2012-10-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Development of Selective, Potent RabGGTase Inhibitors
J.Med.Chem., 55, 2012
4GTV
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BU of 4gtv by Molmil
Engineered RabGGTase in complex with BMS analogue 13
分子名称: 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl diethylcarbamate, CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, ...
著者Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S.
登録日2012-08-29
公開日2012-10-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Development of Selective, Potent RabGGTase Inhibitors
J.Med.Chem., 55, 2012
4GTT
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BU of 4gtt by Molmil
Engineered RabGGTase in complex with BMS analogue 12
分子名称: 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate, CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, ...
著者Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S.
登録日2012-08-29
公開日2012-10-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Development of Selective, Potent RabGGTase Inhibitors
J.Med.Chem., 55, 2012
3JUM
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BU of 3jum by Molmil
Crystal Structure of PhzA/B from Burkholderia cepacia R18194 in complex with 5-bromo-2-((1S,3R)-3-carboxycyclohexylamino)benzoic acid
分子名称: 5-bromo-2-{[(1S,3R)-3-carboxycyclohexyl]amino}benzoic acid, Phenazine biosynthesis protein A/B
著者Mentel, M, Breinbauer, R, Blankenfeldt, W.
登録日2009-09-15
公開日2009-09-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The Active Site of an Enzyme Can Host Both Enantiomers of a Racemic Ligand Simultaneously
Angew.Chem.Int.Ed.Engl., 48, 2009
3JUQ
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BU of 3juq by Molmil
Crystal Structure of PhzA/B from Burkholderia cepacia R18194 cocrystallized with 2 mM racemic 5-bromo-2-(piperidin-3-ylamino)benzoic acid
分子名称: 5-bromo-2-[(3R)-piperidin-3-ylamino]benzoic acid, 5-bromo-2-[(3S)-piperidin-3-ylamino]benzoate, Phenazine biosynthesis protein A/B
著者Mentel, M, Breinbauer, R, Blankenfeldt, W.
登録日2009-09-15
公開日2009-09-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The Active Site of an Enzyme Can Host Both Enantiomers of a Racemic Ligand Simultaneously
Angew.Chem.Int.Ed.Engl., 48, 2009
3JUN
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BU of 3jun by Molmil
Crystal Structure of PhzA/B from Burkholderia cepacia R18194 in simultaneous complex with racemic 5-bromo-2-(piperidin-3-ylamino)benzoic acid
分子名称: 5-bromo-2-[(3R)-piperidin-3-ylamino]benzoic acid, 5-bromo-2-[(3S)-piperidin-3-ylamino]benzoate, Phenazine biosynthesis protein A/B
著者Mentel, M, Breinbauer, R, Blankenfeldt, W.
登録日2009-09-15
公開日2009-09-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Active Site of an Enzyme Can Host Both Enantiomers of a Racemic Ligand Simultaneously
Angew.Chem.Int.Ed.Engl., 48, 2009
3JUO
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BU of 3juo by Molmil
Crystal Structure of PhzA/B from Burkholderia cepacia R18194 in complex with (R)-5-bromo-2-(piperidin-3-ylamino)benzoic acid
分子名称: 5-bromo-2-[(3R)-piperidin-3-ylamino]benzoic acid, Phenazine biosynthesis protein A/B
著者Mentel, M, Jain, I.H, Breinbauer, R, Blankenfeldt, W.
登録日2009-09-15
公開日2009-09-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Active Site of an Enzyme Can Host Both Enantiomers of a Racemic Ligand Simultaneously
Angew.Chem.Int.Ed.Engl., 48, 2009
3JUP
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BU of 3jup by Molmil
Crystal Structure of PhzA/B from Burkholderia cepacia R18194 in complex with (S)-5-bromo-2-(piperidin-3-ylamino)benzoic acid
分子名称: 5-bromo-2-[(3S)-piperidin-3-ylamino]benzoate, Phenazine biosynthesis protein A/B
著者Mentel, M, Jain, I.H, Breinbauer, R, Blankenfeldt, W.
登録日2009-09-15
公開日2009-09-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Active Site of an Enzyme Can Host Both Enantiomers of a Racemic Ligand Simultaneously
Angew.Chem.Int.Ed.Engl., 48, 2009
4AY8
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BU of 4ay8 by Molmil
SeMet-derivative of a methyltransferase from M. mazei
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 1-THIOETHANESULFONIC ACID, GLYCEROL, ...
著者Hoeppner, A, Thomas, F, Rueppel, A, Hensel, R, Blankenfeldt, W, Bayer, P, Faust, A.
登録日2012-06-18
公開日2012-10-31
最終更新日2014-11-05
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of the Corrinoid:Coenzyme M Methyltransferase Mtaa from Methanosarcina Mazei
Acta Crystallogr.,Sect.D, 68, 2012
6Q7U
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BU of 6q7u by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with HHQ
分子名称: 2-heptyl-1~{H}-quinolin-4-one, Transcriptional regulator MvfR
著者Witzgall, F, Xu, N, 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 (3.14 Å)
主引用文献Flexible Fragment Growing Boosts Potency of Quorum-Sensing Inhibitors against Pseudomonas aeruginosa Virulence.
Chemmedchem, 15, 2020
6Q7W
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BU of 6q7w by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with compound 20
分子名称: GLYCEROL, Transcriptional regulator MvfR, ~{N}4-[3-(4-fluorophenyl)propyl]-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 (2.82 Å)
主引用文献Flexible Fragment Growing Boosts Potency of Quorum-Sensing Inhibitors against Pseudomonas aeruginosa Virulence.
Chemmedchem, 15, 2020
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
6R6U
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BU of 6r6u by Molmil
Crystal structure of human cis-aconitate decarboxylase
分子名称: (R,R)-2,3-BUTANEDIOL, Cis-aconitate decarboxylase, SODIUM ION
著者Lukat, P, Chen, F, Saile, K, Buessow, K, Pessler, F, Blankenfeldt, W.
登録日2019-03-28
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.705 Å)
主引用文献Crystal structure ofcis-aconitate decarboxylase reveals the impact of naturally occurring human mutations on itaconate synthesis.
Proc.Natl.Acad.Sci.USA, 116, 2019
6R6T
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BU of 6r6t by Molmil
Crystal structure of mouse cis-aconitate decarboxylase
分子名称: Cis-aconitate decarboxylase
著者Lukat, P, Chen, F, Saile, K, Buessow, K, Pessler, F, Blankenfeldt, W.
登録日2019-03-28
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.535 Å)
主引用文献Crystal structure ofcis-aconitate decarboxylase reveals the impact of naturally occurring human mutations on itaconate synthesis.
Proc.Natl.Acad.Sci.USA, 116, 2019

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