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PDB: 244 件

6YA1
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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
3HXD
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BU of 3hxd by Molmil
Engineered RabGGTase in complex with a peptidomimetic inhibitor (compound 9)
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
3HXE
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Engineered RabGGTase in complex with a peptidomimetic inhibitor (compound 37)
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
3UI4
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0.8 A resolution crystal structure of human Parvulin 14
分子名称: CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4, SULFATE ION
著者Mueller, J.W, Link, N.M, Matena, A, Hoppstock, L, Rueppel, A, Bayer, P, Blankenfeldt, W.
登録日2011-11-04
公開日2011-12-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Crystallographic proof for an extended hydrogen-bonding network in small prolyl isomerases.
J.Am.Chem.Soc., 133, 2011
3UI5
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Crystal structure of human Parvulin 14
分子名称: (4S,5S)-1,2-DITHIANE-4,5-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4, SODIUM ION, ...
著者Mueller, J.W, Link, N.M, Matena, A, Hoppstock, L, Rueppel, A, Bayer, P, Blankenfeldt, W.
登録日2011-11-04
公開日2011-12-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystallographic proof for an extended hydrogen-bonding network in small prolyl isomerases.
J.Am.Chem.Soc., 133, 2011
3UI6
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0.89 A resolution crystal structure of human Parvulin 14 in complex with oxidized DTT
分子名称: (4S,5S)-1,2-DITHIANE-4,5-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4, SODIUM ION, ...
著者Mueller, J.W, Link, N.M, Matena, A, Hoppstock, L, Rueppel, A, Bayer, P, Blankenfeldt, W.
登録日2011-11-04
公開日2012-11-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (0.89 Å)
主引用文献0.89 A resolution crystal structure of human Parvulin 14 in complex with oxidized DTT
To be Published
3HXB
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Engineered RabGGTase in complex with a peptidomimetic inhibitor (compound 6)
分子名称: Geranylgeranyl transferase type-2 subunit alpha, Geranylgeranyl transferase type-2 subunit beta, N-[(benzyloxy)carbonyl]-D-tyrosyl-L-phenylalanyl-L-tyrosine, ...
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2023-09-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Design, synthesis, and characterization of Peptide-based rab geranylgeranyl transferase inhibitors
J.Med.Chem., 52, 2009
3JUM
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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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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
5HIO
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Crystal Structure of PQS Response Protein PqsE in Complex with 2-aminobenzoylacetate
分子名称: 3-(2-aminophenyl)-3-oxopropanoic 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 (1.9 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
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
5HIP
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BU of 5hip by Molmil
Crystal Structure of PQS Response Protein PqsE in Complex with 2-(pyridin-3-yl)benzoic acid
分子名称: 2-(pyridin-3-yl)benzoic 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 (1.992 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
6TP9
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c-type cytochrome NirC
分子名称: Cytochrome c55X, HEME C
著者Kluenemann, T, Henke, S, Blankenfeldt, W.
登録日2019-12-12
公開日2020-04-22
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献The crystal structure of the heme d1biosynthesis-associated small c-type cytochrome NirC reveals mixed oligomeric states in crystallo.
Acta Crystallogr D Struct Biol, 76, 2020
5HIQ
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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
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
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
6Q7U
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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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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
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
6Q7V
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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
7OC6
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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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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
5IWE
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E45Q mutant of phenazine biosynthesis protein PhzF in complex with (5R,6R)-6-azaniumyl-5-ethoxycyclohexa-1,3-diene-1-carboxylate
分子名称: (5R,6R)-6-azaniumyl-5-ethoxycyclohexa-1,3-diene-1-carboxylate, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
著者Diederich, C, Blankenfeldt, W.
登録日2016-03-22
公開日2017-03-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Mechanisms and Specificity of Phenazine Biosynthesis Protein PhzF.
Sci Rep, 7, 2017
7R3H
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PROSS optimitzed variant of RhlR (75 mutations) in complex with native autoinducer C4-HSL
分子名称: N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide, PROSS optimized variant of RhlR with 75 mutations
著者Henke, S, Blankenfeldt, W.
登録日2022-02-07
公開日2022-12-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.49 Å)
主引用文献Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022

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件を2024-07-31に公開中

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