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4ZFK
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BU of 4zfk by Molmil
Ergothioneine-biosynthetic Ntn hydrolase EgtC with glutamine
Descriptor: 1,2-ETHANEDIOL, Amidohydrolase EgtC, GLUTAMINE
Authors:Vit, A, Seebeck, F.P, Blankenfeldt, W.
Deposit date:2015-04-21
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure of the Ergothioneine-Biosynthesis Amidohydrolase EgtC.
Chembiochem, 16, 2015
4ZFJ
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BU of 4zfj by Molmil
Ergothioneine-biosynthetic Ntn hydrolase EgtC, apo form
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Amidohydrolase EgtC
Authors:Vit, A, Seebeck, F.P, Blankenfeldt, W.
Deposit date:2015-04-21
Release date:2015-07-01
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of the Ergothioneine-Biosynthesis Amidohydrolase EgtC.
Chembiochem, 16, 2015
2LFF
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BU of 2lff by Molmil
Solution structure of Diiron protein in presence of 8 eq Zn2+, Northeast Structural Genomics consortium target OR21
Descriptor: Diiron protein, ZINC ION
Authors:Pires, M, Wu, Y, Mills, J.L, Reig, A, Englander, W, Degrado, W, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-06-29
Release date:2011-08-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of Diiron protein in presence of 8 eq Zn2+
To be Published
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:2024-05-01
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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BU of 6yhm by Molmil
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
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
6YHK
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BU of 6yhk by Molmil
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
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
Descriptor: 5-bromo-2-{[(1S,3R)-3-carboxycyclohexyl]amino}benzoic acid, Phenazine biosynthesis protein A/B
Authors:Mentel, M, Breinbauer, R, Blankenfeldt, W.
Deposit date:2009-09-15
Release date:2009-09-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.45 Å)
Cite: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
Descriptor: 5-bromo-2-[(3R)-piperidin-3-ylamino]benzoic acid, 5-bromo-2-[(3S)-piperidin-3-ylamino]benzoate, Phenazine biosynthesis protein A/B
Authors:Mentel, M, Breinbauer, R, Blankenfeldt, W.
Deposit date:2009-09-15
Release date:2009-09-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: 5-bromo-2-[(3R)-piperidin-3-ylamino]benzoic acid, 5-bromo-2-[(3S)-piperidin-3-ylamino]benzoate, Phenazine biosynthesis protein A/B
Authors:Mentel, M, Breinbauer, R, Blankenfeldt, W.
Deposit date:2009-09-15
Release date:2009-09-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 5-bromo-2-[(3R)-piperidin-3-ylamino]benzoic acid, Phenazine biosynthesis protein A/B
Authors:Mentel, M, Jain, I.H, Breinbauer, R, Blankenfeldt, W.
Deposit date:2009-09-15
Release date:2009-09-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 5-bromo-2-[(3S)-piperidin-3-ylamino]benzoate, Phenazine biosynthesis protein A/B
Authors:Mentel, M, Jain, I.H, Breinbauer, R, Blankenfeldt, W.
Deposit date:2009-09-15
Release date:2009-09-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Active Site of an Enzyme Can Host Both Enantiomers of a Racemic Ligand Simultaneously
Angew.Chem.Int.Ed.Engl., 48, 2009
6ZTH
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BU of 6zth by Molmil
Phospholipase PlaB from Legionella pneumophila
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PlaB phospholipase
Authors:Diwo, M.G, Flieger, A, Blankenfeldt, W.
Deposit date:2020-07-20
Release date:2021-06-02
Last modified:2021-06-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:NAD(H)-mediated tetramerization controls the activity of Legionella pneumophila phospholipase PlaB.
Proc.Natl.Acad.Sci.USA, 118, 2021
6ZTI
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BU of 6zti by Molmil
Phospholipase PlaB from Legionella pneumophila in complex with thio-NAD
Descriptor: GLYCEROL, PlaB phospholipase, THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Diwo, M.G, Flieger, A, Blankenfeldt, W.
Deposit date:2020-07-20
Release date:2021-06-02
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:NAD(H)-mediated tetramerization controls the activity of Legionella pneumophila phospholipase PlaB.
Proc.Natl.Acad.Sci.USA, 118, 2021
8BTJ
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BU of 8btj by Molmil
Murine cytomegalovirus protein M35
Descriptor: (R,R)-2,3-BUTANEDIOL, MALONATE ION, Protein M35
Authors:Schmelz, S, Van den Heuvel, J, Blankenfeldt, W.
Deposit date:2022-11-29
Release date:2023-10-11
Method:X-RAY DIFFRACTION (1.94 Å)
Cite: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
7T4J
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BU of 7t4j by Molmil
Crystal Structure of EGFR_D770_N771insNPG/V948R in complex with TAK-788
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Epidermal growth factor receptor, ...
Authors:Skene, R.J, Lane, W, Hu, Y.
Deposit date:2021-12-10
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer.
Bioorg.Med.Chem.Lett., 80, 2022
7T4I
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BU of 7t4i by Molmil
Crystal Structure of wild type EGFR in complex with TAK-788
Descriptor: Epidermal growth factor receptor, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate
Authors:Skene, R.J, Lane, W.
Deposit date:2021-12-10
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer.
Bioorg.Med.Chem.Lett., 80, 2022
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
Descriptor: (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R.
Deposit date:2022-11-23
Release date:2023-05-03
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Multistep Engineering of a Penicillin G Acylase for Systematic Improvement of Crystallization Efficiency
Cryst.Growth Des., 2023
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.
Descriptor: (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R.
Deposit date:2022-11-23
Release date:2023-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Multistep Engineering of a Penicillin G Acylase for Systematic Improvement of Crystallization Efficiency
Cryst.Growth Des., 2023
8BRQ
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BU of 8brq by Molmil
Crystal structure of a surface entropy reduction variant of penicillin G acylase from Bacillaceae i. s. sp. FJAT-27231
Descriptor: (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R.
Deposit date:2022-11-23
Release date:2023-05-03
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.63 Å)
Cite: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
Descriptor: (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R.
Deposit date:2022-11-23
Release date:2023-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Multistep Engineering of a Penicillin G Acylase for Systematic Improvement of Crystallization Efficiency
Cryst.Growth Des., 2023
7P4U
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BU of 7p4u by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE
Descriptor: Transcriptional regulator MvfR, ~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
Authors:Schmelz, S, Blankenfeldt, W.
Deposit date:2021-07-13
Release date:2022-07-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Towards Translation of PqsR Inverse Agonists: From In Vitro Efficacy Optimization to In Vivo Proof-of-Principle.
Adv Sci, 10, 2023
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
8CIZ
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BU of 8ciz by Molmil
DNA-polymerase sliding clamp (DnaN) from Escherichia coli in complex with Mycoplanecin A.
Descriptor: Beta sliding clamp, Mycoplanecin A
Authors:Fu, C, Liu, Y, Walt, C, Bader, C, Rasheed, S, Lukat, P, Neuber, M, Blankenfeldt, W, Kalinina, O, Mueller, R.
Deposit date:2023-02-11
Release date:2023-11-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Elucidation of unusual biosynthesis and DnaN-targeting mode of action of potent anti-tuberculosis antibiotics Mycoplanecins.
Nat Commun, 15, 2024
8CIY
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BU of 8ciy by Molmil
DNA-polymerase sliding clamp (DnaN) from Escherichia coli in complex with Cyclohexyl-Griselimycin.
Descriptor: ACETATE ION, Beta sliding clamp, CALCIUM ION, ...
Authors:Fu, C, Liu, Y, Walt, C, Bader, C, Rasheed, S, Lukat, P, Neuber, M, Blankenfeldt, W, Kalinina, O, Mueller, R.
Deposit date:2023-02-11
Release date:2023-11-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Elucidation of unusual biosynthesis and DnaN-targeting mode of action of potent anti-tuberculosis antibiotics Mycoplanecins.
Nat Commun, 15, 2024

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