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PDB: 508 results

6XFI
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BU of 6xfi by Molmil
Crystal Structures of beta-1,4-N-Acetylglucosaminyltransferase 2 (POMGNT2): Structural Basis for Inherited Muscular Dystrophies
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, Protein O-linked-mannose beta-1,4-N-acetylglucosaminyltransferase 2, ...
Authors:Halmo, S.M, Yeh, J, Wells, L, Moremen, K.W, Lanzilotta, W.N.
Deposit date:2020-06-15
Release date:2021-04-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of beta-1,4-N-acetylglucosaminyltransferase 2: structural basis for inherited muscular dystrophies.
Acta Crystallogr D Struct Biol, 77, 2021
8S33
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BU of 8s33 by Molmil
Malic semialdehyde dehydrogenase (MSA-DH) from Acinetobacter baumannii
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Succinate-semialdehyde dehydrogenase [NAD(P)+]
Authors:Piskol, F, Lukat, P, Blankenfeldt, W, Jahn, D, Moser, J.
Deposit date:2024-02-19
Release date:2024-08-14
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Biochemical and structural elucidation of the L-carnitine degradation pathway of the human pathogen Acinetobacter baumannii .
Front Microbiol, 15, 2024
4X8B
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BU of 4x8b by Molmil
Ergothioneine-biosynthetic sulfoxide synthase EgtB, apo form
Descriptor: CALCIUM ION, CHLORIDE ION, FE (III) ION, ...
Authors:Vit, A, Goncharenko, K.V, Blankenfeldt, W, Seebeck, F.P.
Deposit date:2014-12-10
Release date:2015-01-28
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the Sulfoxide Synthase EgtB from the Ergothioneine Biosynthetic Pathway.
Angew.Chem.Int.Ed.Engl., 54, 2015
6YA1
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BU of 6ya1 by Molmil
Zinc metalloprotease ProA
Descriptor: ACETATE ION, CALCIUM ION, ZINC ION, ...
Authors:Schmelz, S, Blankenfeldt, W.
Deposit date:2020-03-11
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.48 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
6YHL
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BU of 6yhl by Molmil
Crystal structure of CNFy from Yersinia pseudotuberculosis - N-terminal fragment comprising residues 1-704
Descriptor: Cytotoxic necrotizing factor
Authors:Lukat, P, Gazdag, E.M, Heidler, T.V, Blankenfeldt, W.
Deposit date:2020-03-30
Release date:2020-12-30
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (3.277 Å)
Cite:Crystal structure of bacterial cytotoxic necrotizing factor CNF Y reveals molecular building blocks for intoxication.
Embo J., 40, 2021
8RUW
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BU of 8ruw by Molmil
Crystal structure of Archaeoglobus fulgidus (S)-3-O-geranylgeranylglyceryl phosphate synthase
Descriptor: Geranylgeranylglyceryl phosphate synthase, PHOSPHATE ION, SULFATE ION
Authors:Eilert, L, Blankenfeldt, W.
Deposit date:2024-01-31
Release date:2024-10-16
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Biocatalytic Ether Lipid Synthesis by an Archaeal Glycerolprenylase.
Angew.Chem.Int.Ed.Engl., 2024
6YHN
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BU of 6yhn by Molmil
Crystal structure of domains 4-5 of CNFy from Yersinia pseudotuberculosis
Descriptor: (R,R)-2,3-BUTANEDIOL, CHLORIDE ION, Cytotoxic necrotizing factor, ...
Authors:Lukat, P, Gazdag, E.M, Heidler, T.V, Blankenfeldt, W.
Deposit date:2020-03-30
Release date:2020-12-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of bacterial cytotoxic necrotizing factor CNF Y reveals molecular building blocks for intoxication.
Embo J., 40, 2021
6YHM
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Crystal structure of the C-terminal domain of CNFy from Yersinia pseudotuberculosis
Descriptor: Cytotoxic necrotizing factor, MAGNESIUM ION
Authors:Lukat, P, Gazdag, E.M, Heidler, T.V, Blankenfeldt, W.
Deposit date:2020-03-30
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Crystal structure of bacterial cytotoxic necrotizing factor CNF Y reveals molecular building blocks for intoxication.
Embo J., 40, 2021
6YIZ
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BU of 6yiz by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with triazolo-pyridine inverse agonist A
Descriptor: 7-oxidanylidene-8-[2-(4-sulfonaphthalen-1-yl)hydrazinyl]-8~{H}-naphthalene-1,3-disulfonic acid, MAGNESIUM ION, Transcriptional regulator MvfR, ...
Authors:Schmelz, S, Blankenfeldt, W.
Deposit date:2020-04-01
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.163 Å)
Cite:A New PqsR Inverse Agonist Potentiates Tobramycin Efficacy to Eradicate Pseudomonas aeruginosa Biofilms.
Adv Sci, 8, 2021
6YHK
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Crystal structure of full-length CNFy (C866S) from Yersinia pseudotuberculosis
Descriptor: CHLORIDE ION, Cytotoxic necrotizing factor, SULFATE ION
Authors:Lukat, P, Gazdag, E.M, Heidler, T.V, Blankenfeldt, W.
Deposit date:2020-03-30
Release date:2020-12-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of bacterial cytotoxic necrotizing factor CNF Y reveals molecular building blocks for intoxication.
Embo J., 40, 2021
1WVC
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BU of 1wvc by Molmil
alpha-D-glucose-1-phosphate cytidylyltransferase complexed with CTP
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, Glucose-1-phosphate cytidylyltransferase, MAGNESIUM ION, ...
Authors:Koropatkin, N.M, Cleland, W.W, Holden, H.M.
Deposit date:2004-12-14
Release date:2005-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Kinetic and structural analysis of alpha-D-Glucose-1-phosphate cytidylyltransferase from Salmonella typhi.
J.Biol.Chem., 280, 2005
6V09
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BU of 6v09 by Molmil
Crystal structure of human recombinant Beta-2 glycoprotein I short tag (ST-B2GPI)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-glycoprotein 1, SULFATE ION, ...
Authors:Chen, Z, Ruben, E.A, Planer, W, Chinnaraj, M, Zuo, X, Pengo, V, Macor, P, Tedesco, F, Pozzi, N.
Deposit date:2019-11-18
Release date:2020-06-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:The J-elongated conformation of beta2-glycoprotein I predominates in solution: implications for our understanding of antiphospholipid syndrome.
J.Biol.Chem., 295, 2020
5K1S
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BU of 5k1s by Molmil
crystal structure of AibC
Descriptor: Oxidoreductase, zinc-binding dehydrogenase family, ZINC ION
Authors:Bock, T, Mueller, R, Blankenfeldt, W.
Deposit date:2016-05-18
Release date:2016-08-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of AibC, a reductase involved in alternative de novo isovaleryl coenzyme A biosynthesis in Myxococcus xanthus.
Acta Crystallogr.,Sect.F, 72, 2016
7R3J
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BU of 7r3j by Molmil
Nativ complex of PqsE and RhlR with the synthetic antagonist mBTL
Descriptor: 2-aminobenzoylacetyl-CoA thioesterase, 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, FE (III) ION, ...
Authors:Borgert, S.R, Schmelz, S, Blankenfeldt, W.
Deposit date:2022-02-07
Release date:2022-12-14
Last modified:2024-01-31
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
7R3H
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BU of 7r3h by Molmil
PROSS optimitzed variant of RhlR (75 mutations) in complex with native autoinducer C4-HSL
Descriptor: N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide, PROSS optimized variant of RhlR with 75 mutations
Authors:Henke, S, Blankenfeldt, W.
Deposit date:2022-02-07
Release date:2022-12-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.49 Å)
Cite:Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
7R3F
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BU of 7r3f by Molmil
Monomeric PqsE mutant E187R
Descriptor: 2-aminobenzoylacetyl-CoA thioesterase, BENZOIC ACID, CACODYLATE ION, ...
Authors:Borgert, S.R, Schmelz, S, Blankenfeldt, W.
Deposit date:2022-02-07
Release date:2022-12-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
7R3E
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BU of 7r3e by Molmil
Fusion construct of PqsE and RhlR in complex with the synthetic antagonist mBTL
Descriptor: 2-aminobenzoylacetyl-CoA thioesterase,Regulatory protein RhlR, 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, FE (III) ION
Authors:Borgert, S.R, Schmelz, S, Blankenfeldt, W.
Deposit date:2022-02-07
Release date:2022-12-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.46 Å)
Cite:Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
7R3G
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BU of 7r3g by Molmil
PROSS optimitzed variant of RhlR (75 mutations) in complex with the synthetic antagonist mBTL
Descriptor: 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, Regulatory protein RhlR
Authors:Henke, S, Blankenfeldt, W.
Deposit date:2022-02-07
Release date:2022-12-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
7R3I
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BU of 7r3i by Molmil
PROSS optimitzed variant of RhlR (61 mutations) in complex with the synthetic antagonist mBTL
Descriptor: 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, PROSS optimized variant of RhlR with 61 mutations
Authors:Henke, S, Blankenfeldt, W.
Deposit date:2022-02-07
Release date:2022-12-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
5K7Z
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BU of 5k7z by Molmil
Crystal structure of AibR in complex with isovaleryl coenzyme A and operator DNA
Descriptor: DNA (32-MER), Isovaleryl-coenzyme A, Transcriptional regulator, ...
Authors:Bock, T, Volz, C, Mueller, R, Blankenfeldt, W.
Deposit date:2016-05-27
Release date:2016-12-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Crystal structure of AibR in complex with isovaleryl coenzyme A and operator DNA
to be published
5K7H
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BU of 5k7h by Molmil
Crystal structure of AibR in complex with the effector molecule isovaleryl coenzyme A
Descriptor: CHLORIDE ION, Isovaleryl-coenzyme A, NICKEL (II) ION, ...
Authors:Bock, T, Volz, C, Mueller, R, Blankenfeldt, W.
Deposit date:2016-05-26
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The AibR-isovaleryl coenzyme A regulator and its DNA binding site - a model for the regulation of alternative de novo isovaleryl coenzyme A biosynthesis in Myxococcus xanthus.
Nucleic Acids Res., 45, 2017
2CIW
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BU of 2ciw by Molmil
Chloroperoxidase iodide complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLOROPEROXIDASE, IODIDE ION, ...
Authors:Kuhnel, K, Blankenfeldt, W, Terner, J, Schlichting, I.
Deposit date:2006-03-26
Release date:2006-06-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal Structures of Chloroperoxidase with its Bound Substrates and Complexed with Formate, Acetate, and Nitrate.
J.Biol.Chem., 281, 2006
2CIZ
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BU of 2ciz by Molmil
chloroperoxidase complexed with acetate
Descriptor: 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, ...
Authors:Kuhnel, K, Blankenfeldt, W, Terner, J, Schlichting, I.
Deposit date:2006-03-26
Release date:2006-06-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structures of Chloroperoxidase with its Bound Substrates and Complexed with Formate, Acetate, and Nitrate.
J.Biol.Chem., 281, 2006
2CIY
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BU of 2ciy by Molmil
Chloroperoxidase complexed with cyanide and DMSO
Descriptor: 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, ...
Authors:Kuhnel, K, Blankenfeldt, W, Terner, J, Schlichting, I.
Deposit date:2006-03-26
Release date:2006-06-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structures of Chloroperoxidase with its Bound Substrates and Complexed with Formate, Acetate, and Nitrate.
J.Biol.Chem., 281, 2006
5KOT
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BU of 5kot by Molmil
Discovery of TAK-272: A Novel, Potent and Orally Active Renin In-hibitor
Descriptor: 1-(4-methoxybutyl)-~{N}-(2-methylpropyl)-~{N}-[(3~{S},5~{R})-5-morpholin-4-ylcarbonylpiperidin-3-yl]benzimidazole-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.-C, Lane, W.
Deposit date:2016-07-01
Release date:2017-07-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of TAK-272: A Novel, Potent and Orally Active Renin Inhibitor
To be published

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