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PDB: 508 results

6Q7W
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BU of 6q7w by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with compound 20
Descriptor: GLYCEROL, Transcriptional regulator MvfR, ~{N}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine
Authors:Witzgall, F, Blankenfeldt, W.
Deposit date:2018-12-13
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.82 Å)
Cite: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
Descriptor: Transcriptional regulator MvfR, ~{N}4-[(4-fluorophenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine
Authors:Witzgall, F, Blankenfeldt, W.
Deposit date:2018-12-13
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Flexible Fragment Growing Boosts Potency of Quorum-Sensing Inhibitors against Pseudomonas aeruginosa Virulence.
Chemmedchem, 15, 2020
8A7K
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BU of 8a7k by Molmil
PcIDS1 in complex with Mg2+/Mn2+, IPP, and ZOL
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ...
Authors:Ecker, F, Boland, W, Groll, M.
Deposit date:2022-06-21
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
8A6Z
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BU of 8a6z by Molmil
PcIDS1 in complex with Mn2+ and IPP
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ...
Authors:Ecker, F, Boland, W, Groll, M.
Deposit date:2022-06-20
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
8A24
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BU of 8a24 by Molmil
Lysophospholipase PlaA from Legionella pneumophila str. Corby - iodide soak
Descriptor: IODIDE ION, Lysophospholipase A
Authors:Diwo, M.G, Blankenfeldt, W.
Deposit date:2022-06-02
Release date:2023-06-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structure-function relationships underpin disulfide loop cleavage-dependent activation of Legionella pneumophila lysophospholipase A PlaA.
Mol.Microbiol., 121, 2024
8A25
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BU of 8a25 by Molmil
Lysophospholipase PlaA from Legionella pneumophila str. Corby - complex with PEG fragment
Descriptor: (R,R)-2,3-BUTANEDIOL, IODIDE ION, Lysophospholipase A, ...
Authors:Diwo, M.G, Blankenfeldt, W.
Deposit date:2022-06-02
Release date:2023-06-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structure-function relationships underpin disulfide loop cleavage-dependent activation of Legionella pneumophila lysophospholipase A PlaA.
Mol.Microbiol., 121, 2024
8AJQ
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BU of 8ajq by Molmil
Crystal structure of PA2722 from Pseudomonas aeruginosa PAO1
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CENP-V/GFA domain-containing protein, GLYCEROL, ...
Authors:Popp, M.A, Blankenfeldt, W.
Deposit date:2022-07-28
Release date:2022-10-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structure of PA2722 from P. aeruginosa PAO1
To Be Published
6YZE
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BU of 6yze by Molmil
Zinc metalloprotease ProA from native source
Descriptor: ZINC ION, Zinc metalloproteinase
Authors:Schmelz, S, Blankenfeldt, W.
Deposit date:2020-05-06
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Zinc metalloprotease ProA of Legionella pneumophila increases alveolar septal thickness in human lung tissue explants by collagen IV degradation.
Cell.Microbiol., 23, 2021
7T8C
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BU of 7t8c by Molmil
Heptameric Human Twinkle Helicase Clinical Variant W315L
Descriptor: Twinkle mtDNA helicase
Authors:Riccio, A.A, Bouvette, J, Krahn, J, Borgnia, M.J, Copeland, W.C.
Deposit date:2021-12-16
Release date:2022-07-27
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural insight and characterization of human Twinkle helicase in mitochondrial disease.
Proc.Natl.Acad.Sci.USA, 119, 2022
7T8B
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BU of 7t8b by Molmil
Octameric Human Twinkle Helicase Clinical Variant W315L
Descriptor: Twinkle mtDNA helicase
Authors:Riccio, A.A, Bouvette, J, Krahn, J, Borgnia, M.J, Copeland, W.C.
Deposit date:2021-12-16
Release date:2022-07-27
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural insight and characterization of human Twinkle helicase in mitochondrial disease.
Proc.Natl.Acad.Sci.USA, 119, 2022
6RTE
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BU of 6rte by Molmil
Dihydro-heme d1 dehydrogenase NirN in complex with DHE
Descriptor: (R,R)-2,3-BUTANEDIOL, Cytochrome c, HEME C
Authors:Kluenemann, T, Preuss, A, Layer, G, Blankenfeldt, W.
Deposit date:2019-05-23
Release date:2019-06-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal Structure of Dihydro-Heme d1Dehydrogenase NirN from Pseudomonas aeruginosa Reveals Amino Acid Residues Essential for Catalysis.
J.Mol.Biol., 431, 2019
6ZDT
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BU of 6zdt by Molmil
Crystal structure of eukaryotic Fibrillarin with Nop56 N-terminal domain
Descriptor: Nucleolar protein 56, rRNA 2'-O-methyltransferase fibrillarin
Authors:Hoefler, S, Lukat, P, Carlomagno, T, Blankenfeldt, W.
Deposit date:2020-06-15
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:High-resolution structure of eukaryotic Fibrillarin interacting with Nop56 amino-terminal domain.
Rna, 27, 2021
5I3T
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BU of 5i3t by Molmil
Native Structure of the Linalool Dehydratase-Isomerase from Castellaniella defragrans
Descriptor: 1,3-BUTANEDIOL, CHLORIDE ION, Linalool dehydratase/isomerase, ...
Authors:LaMattina, J.W, Carlock, M, Koch, D.J, Lanzilotta, W.N.
Deposit date:2016-02-11
Release date:2016-06-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Native Structure of the Linalool Dehydratase-Isomerase from Castellaniella defragrans
To Be Published
6TP9
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BU of 6tp9 by Molmil
c-type cytochrome NirC
Descriptor: Cytochrome c55X, HEME C
Authors:Kluenemann, T, Henke, S, Blankenfeldt, W.
Deposit date:2019-12-12
Release date:2020-04-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.19 Å)
Cite: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
1MHZ
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BU of 1mhz by Molmil
METHANE MONOOXYGENASE HYDROXYLASE
Descriptor: FE (III) ION, METHANE MONOOXYGENASE HYDROXYLASE
Authors:Elango, N, Radhakrishnan, R, Froland, W.A, Waller, B.J, Earhart, C.A, Lipscomb, J.D, Ohlendorf, D.H.
Deposit date:1996-10-21
Release date:1997-05-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of the hydroxylase component of methane monooxygenase from Methylosinus trichosporium OB3b
Protein Sci., 6, 1997
3MPS
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BU of 3mps by Molmil
Peroxide Bound Oxidized Rubrerythrin from Pyrococcus furiosus
Descriptor: FE (III) ION, HYDROGEN PEROXIDE, MU-OXO-DIIRON, ...
Authors:Dillard, B.D, Adams, M.W.W, Lanzilotta, W.N.
Deposit date:2010-04-27
Release date:2011-06-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:A cryo-crystallographic time course for peroxide reduction by rubrerythrin from Pyrococcus furiosus.
J.Biol.Inorg.Chem., 16, 2011
2CM4
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BU of 2cm4 by Molmil
The complement inhibitor OmCI in complex with ricinoleic acid
Descriptor: ACETATE ION, COMPLEMENT INHIBITOR, RICINOLEIC ACID
Authors:Roversi, P, Johnson, S, Lissina, O, Paesen, G.C, Boland, W, Nunn, M.A, Lea, S.M.
Deposit date:2006-05-04
Release date:2007-05-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Structure of Omci, a Novel Lipocalin Inhibitor of the Complement System.
J.Mol.Biol., 369, 2007
1MHY
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BU of 1mhy by Molmil
METHANE MONOOXYGENASE HYDROXYLASE
Descriptor: FE (III) ION, METHANE MONOOXYGENASE HYDROXYLASE
Authors:Elango, N, Radhakrishnan, R, Froland, W.A, Waller, B.J, Earhart, C.A, Lipscomb, J.D, Ohlendorf, D.H.
Deposit date:1996-10-21
Release date:1997-05-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the hydroxylase component of methane monooxygenase from Methylosinus trichosporium OB3b
Protein Sci., 6, 1997
2CM9
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BU of 2cm9 by Molmil
The complement inhibitor OmCI in complex with ricinoleic acid
Descriptor: ACETATE ION, COMPLEMENT INHIBITOR, RICINOLEIC ACID
Authors:Roversi, P, Johnson, S, Lissina, O, Paesen, G.C, Boland, W, Nunn, M.A, Lea, S.M.
Deposit date:2006-05-04
Release date:2007-05-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Structure of Omci, a Novel Lipocalin Inhibitor of the Complement System.
J.Mol.Biol., 369, 2007
5XKM
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BU of 5xkm by Molmil
Crystal structure of human phosphodiesterase 2A in complex with 6-methyl-N-(1-(4-(trifluoromethoxy)phenyl)propyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Descriptor: 6-methyl-N-[(1R)-1-[4-(trifluoromethyloxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, MAGNESIUM ION, ZINC ION, ...
Authors:Oki, H, Kondo, M, Snell, G, Lane, W.
Deposit date:2017-05-08
Release date:2017-08-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Discovery of an Orally Bioavailable, Brain-Penetrating, in Vivo Active Phosphodiesterase 2A Inhibitor Lead Series for the Treatment of Cognitive Disorders.
J. Med. Chem., 60, 2017
8B4A
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BU of 8b4a by Molmil
Nativ complex of PqsE and RhlR with autoinducer C4-HSL
Descriptor: 2-aminobenzoylacetyl-CoA thioesterase, FE (III) ION, N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide, ...
Authors:Borgert, S.R, Blankenfeldt, W.
Deposit date:2022-09-20
Release date:2022-12-14
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
3HXB
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BU of 3hxb by Molmil
Engineered RabGGTase in complex with a peptidomimetic inhibitor (compound 6)
Descriptor: Geranylgeranyl transferase type-2 subunit alpha, Geranylgeranyl transferase type-2 subunit beta, N-[(benzyloxy)carbonyl]-D-tyrosyl-L-phenylalanyl-L-tyrosine, ...
Authors:Guo, Z, Alexandrov, K, Waldmann, H, Goody, R.S, Blankenfeldt, W.
Deposit date:2009-06-20
Release date:2009-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Design, synthesis, and characterization of Peptide-based rab geranylgeranyl transferase inhibitors
J.Med.Chem., 52, 2009
5HIO
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BU of 5hio by Molmil
Crystal Structure of PQS Response Protein PqsE in Complex with 2-aminobenzoylacetate
Descriptor: 3-(2-aminophenyl)-3-oxopropanoic acid, FE (III) ION, PqsE
Authors:Witzgall, F, Blankenfeldt, W.
Deposit date:2016-01-12
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.
Acs Chem.Biol., 11, 2016
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
Descriptor: 2-(pyridin-3-yl)benzoic acid, FE (III) ION, PqsE
Authors:Witzgall, F, Blankenfeldt, W.
Deposit date:2016-01-12
Release date:2016-04-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.
Acs Chem.Biol., 11, 2016
7NBW
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BU of 7nbw by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with a pyridin agonist
Descriptor: Transcriptional regulator MvfR, ~{N}-[3-(4-fluorophenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine
Authors:Schmelz, S, Blankenfeldt, W.
Deposit date:2021-01-28
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Divergent synthesis and biological evaluation of 2-(trifluoromethyl)pyridines as virulence-attenuating inverse agonists targeting PqsR.
Eur.J.Med.Chem., 226, 2021

226707

数据于2024-10-30公开中

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