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PDB: 508 件
5I2A
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BU of 5i2a by Molmil
1,2-propanediol Dehydration in Roseburia inulinivorans; Structural Basis for Substrate and Enantiomer Selectivity
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Diol-dehydratase
著者LaMattina, J.W, Reitzer, P, Kapoor, S, Galzerani, F, Koch, D.J, Gouvea, I.E, Lanzilotta, W.N.
登録日2016-02-08
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献1,2-Propanediol Dehydration in Roseburia inulinivorans: STRUCTURAL BASIS FOR SUBSTRATE AND ENANTIOMER SELECTIVITY.
J.Biol.Chem., 291, 2016
3HXC
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BU of 3hxc by Molmil
Engineered RabGGTase in complex with a peptidomimetic inhibitor (compound 8)
分子名称: CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, Geranylgeranyl transferase type-2 subunit beta, ...
著者Guo, Z, Alexandrov, K, Waldmann, H, Goody, R.S, Blankenfeldt, W.
登録日2009-06-20
公開日2009-09-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Design, synthesis, and characterization of Peptide-based rab geranylgeranyl transferase inhibitors
J.Med.Chem., 52, 2009
6TCB
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BU of 6tcb by Molmil
Crystal structure of protein PA2723 from Pseudomonas aeruginosa PAO1
分子名称: CALCIUM ION, Uncharacterized protein PA2723
著者Popp, M.A, Blankenfeldt, W.
登録日2019-11-05
公開日2020-11-18
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal structure of protein PA2723 from Pseudomonas aeruginosa PAO1
To Be Published
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2024-10-23
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
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
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
6BTI
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BU of 6bti by Molmil
Crystal structure of human cellular retinol binding protein 2 (CRBP2) in complex with N-arachidonoylethanolamine (AEA)
分子名称: (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide, DI(HYDROXYETHYL)ETHER, Retinol-binding protein 2
著者Silvaroli, J.A, Blaner, W.S, Lodowski, D.T, Golczak, M.
登録日2017-12-06
公開日2018-12-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Retinol-binding protein 2 (RBP2) binds monoacylglycerols and modulates gut endocrine signaling and body weight.
Sci Adv, 6, 2020
5HIS
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BU of 5his by Molmil
Crystal Structure of PQS Response Protein PqsE in Complex with 3-methylthiophene-2-carboxylic acid
分子名称: 3-methylthiophene-2-carboxylic acid, FE (III) ION, PqsE
著者Witzgall, F, Blankenfeldt, W.
登録日2016-01-12
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.
Acs Chem.Biol., 11, 2016
3DSV
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BU of 3dsv by Molmil
Crystal structure of RabGGTase(DELTA LRR; DELTA IG)in complex with mono-prenylated peptide Ser-Cys-Ser-Cys(GG) derivated from Rab7
分子名称: CALCIUM ION, GERAN-8-YL GERAN, Geranylgeranyl transferase type-2 subunit alpha, ...
著者Guo, Z, Yu, S, Goody, R.S, Alexandrov, K, Blankenfeldt, W.
登録日2008-07-14
公開日2008-09-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of RabGGTase-substrate/product complexes provide insights into the evolution of protein prenylation
Embo J., 27, 2008
3DSU
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BU of 3dsu by Molmil
Crystal structure of RabGGTase(DELTA LRR; DELTA IG)in complex with farnesyl pyrophosphate
分子名称: CALCIUM ION, FARNESYL DIPHOSPHATE, Geranylgeranyl transferase type-2 subunit alpha, ...
著者Guo, Z, Yu, S, Goody, R.S, Alexandrov, K, Blankenfeldt, W.
登録日2008-07-14
公開日2008-09-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of RabGGTase-substrate/product complexes provide insights into the evolution of protein prenylation
Embo J., 27, 2008
3EX9
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BU of 3ex9 by Molmil
Crystal structure of PhzA/B from Burkholderia cepacia R18194 crystallized in C2221
分子名称: Phenazine biosynthesis protein A/B
著者Ahuja, E.G, Blankenfeldt, W.
登録日2008-10-16
公開日2008-12-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献PhzA/B Catalyzes the Formation of the Tricycle in Phenazine Biosynthesis.
J.Am.Chem.Soc., 130, 2008
6BTH
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BU of 6bth by Molmil
Crystal structure of human cellular retinol binding protein 2 (CRBP2) in complex with 2-arachidonoylglycerol (2-AG)
分子名称: 1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, DI(HYDROXYETHYL)ETHER, Retinol-binding protein 2
著者Silvaroli, J.A, Blaner, W.S, Lodowski, D.T, Golczak, M.
登録日2017-12-06
公開日2018-12-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Retinol-binding protein 2 (RBP2) binds monoacylglycerols and modulates gut endocrine signaling and body weight.
Sci Adv, 6, 2020
5I2G
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BU of 5i2g by Molmil
1,2-propanediol Dehydration in Roseburia inulinivorans; Structural Basis for Substrate and Enantiomer Selectivity
分子名称: Diol dehydratase, S-1,2-PROPANEDIOL
著者LaMattina, J.W, Reitzer, P, Kapoor, S, Galzerani, F, Koch, D.J, Gouvea, I.E, Lanzilotta, W.N.
登録日2016-02-08
公開日2016-06-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.352 Å)
主引用文献1,2-Propanediol Dehydration in Roseburia inulinivorans: STRUCTURAL BASIS FOR SUBSTRATE AND ENANTIOMER SELECTIVITY.
J.Biol.Chem., 291, 2016
3CNM
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BU of 3cnm by Molmil
Crystal Structure of Phenazine Biosynthesis Protein PhzA/B from Burkholderia cepacia R18194, DHHA complex
分子名称: (2S,3S)-TRANS-2,3-DIHYDRO-3-HYDROXYANTHRANILIC ACID, ACETATE ION, Phenazine biosynthesis protein A/B
著者Ahuja, E.G, Blankenfeldt, W.
登録日2008-03-26
公開日2008-12-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献PhzA/B catalyzes the formation of the tricycle in phenazine biosynthesis.
J.Am.Chem.Soc., 130, 2008
5HIQ
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BU of 5hiq by Molmil
Crystal Structure of PQS Response Protein PqsE in Complex with 2-(1H-pyrrol-1-yl)benzoic acid
分子名称: 2-pyrrol-1-ylbenzoic acid, FE (III) ION, PqsE
著者Witzgall, F, Blankenfeldt, W.
登録日2016-01-12
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.
Acs Chem.Biol., 11, 2016
8VQX
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BU of 8vqx by Molmil
Structure of SARS-CoV-2 main protease with potent peptide aldehyde inhibitor
分子名称: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER, ...
著者Dougan, D.R, Lane, W.
登録日2024-01-19
公開日2024-08-07
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Exploiting high-energy hydration sites for the discovery of potent peptide aldehyde inhibitors of the SARS-CoV-2 main protease with cellular antiviral activity.
Bioorg.Med.Chem., 103, 2024
8AID
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BU of 8aid by Molmil
Crystal structure of N-terminally truncated PA4183 from P. aeruginosa PAO1
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, PA4183
著者Popp, M.A, Blankenfeldt, W.
登録日2022-07-26
公開日2022-11-30
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structure of N-terminally truncated PA4183 from P. aeruginosa PAO1
To Be Published
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
3DSS
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BU of 3dss by Molmil
Crystal structure of RabGGTase(DELTA LRR; DELTA IG)
分子名称: CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, Geranylgeranyl transferase type-2 subunit beta, ...
著者Guo, Z, Yu, S, Goody, R.S, Alexandrov, K, Blankenfeldt, W.
登録日2008-07-14
公開日2008-09-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of RabGGTase-substrate/product complexes provide insights into the evolution of protein prenylation
Embo J., 27, 2008
6TO2
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BU of 6to2 by Molmil
Crystal structure of CYP154C5 from Nocardia farcinica in complex with 5alpha-Androstan-3-one
分子名称: (5~{S},8~{S},9~{S},10~{S},13~{S},14~{S})-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one, CHLORIDE ION, Cytochrome P450 monooxygenase, ...
著者Rodriguez, A, Kluenemann, T, Blankenfeldt, W, Schallmey, A.
登録日2019-12-11
公開日2020-11-18
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献CYP154C5 Regioselectivity in Steroid Hydroxylation Explored by Substrate Modifications and Protein Engineering*.
Chembiochem, 22, 2021
1YUX
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BU of 1yux by Molmil
Mixed valant state of nigerythrin
分子名称: FE (II) ION, FE (III) ION, Nigerythrin
著者Iyer, R.B, Silaghi-Dumitrescu, R, Kurtz, D.M, Lanzilotta, W.N.
登録日2005-02-14
公開日2005-06-21
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献High-resolution crystal structures of Desulfovibrio vulgaris (Hildenborough) nigerythrin: facile, redox-dependent iron movement, domain interface variability, and peroxidase activity in the rubrerythrins.
J.Biol.Inorg.Chem., 10, 2005
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
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
1YV1
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BU of 1yv1 by Molmil
Fully reduced state of nigerythrin (all ferrous)
分子名称: FE (II) ION, Nigerythrin
著者Iyer, R.B, Silaghi-Dumitrescu, R, Kurtz, D.M, Lanzilotta, W.N.
登録日2005-02-14
公開日2005-06-21
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献High-resolution crystal structures of Desulfovibrio vulgaris (Hildenborough) nigerythrin: facile, redox-dependent iron movement, domain interface variability, and peroxidase activity in the rubrerythrins.
J.Biol.Inorg.Chem., 10, 2005
1YUZ
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BU of 1yuz by Molmil
Partially Reduced State of Nigerythrin
分子名称: FE (II) ION, FE (III) ION, Nigerythrin
著者Iyer, R.B, Silaghi-Dumitrescu, R, Kurtz, D.M, Lanzilotta, W.N.
登録日2005-02-14
公開日2005-06-21
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献High-resolution crystal structures of Desulfovibrio vulgaris (Hildenborough) nigerythrin: facile, redox-dependent iron movement, domain interface variability, and peroxidase activity in the rubrerythrins.
J.Biol.Inorg.Chem., 10, 2005

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