7R3H
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7R3J
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![BU of 7r3j by Molmil](/molmil-images/mine/7r3j) | 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
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7R3G
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7R3I
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3HXB
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![BU of 3hxb by Molmil](/molmil-images/mine/3hxb) | 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
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3HXD
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![BU of 3hxd by Molmil](/molmil-images/mine/3hxd) | Engineered RabGGTase in complex with a peptidomimetic inhibitor (compound 9) | Descriptor: | CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, Geranylgeranyl transferase type-2 subunit beta, ... | Authors: | Guo, Z, Alexandrov, K, Waldmann, H, Goody, R.S, Blankenfeldt, W. | Deposit date: | 2009-06-20 | Release date: | 2009-09-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design, synthesis, and characterization of Peptide-based rab geranylgeranyl transferase inhibitors J.Med.Chem., 52, 2009
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3HXE
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![BU of 3hxe by Molmil](/molmil-images/mine/3hxe) | Engineered RabGGTase in complex with a peptidomimetic inhibitor (compound 37) | Descriptor: | CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, Geranylgeranyl transferase type-2 subunit beta, ... | Authors: | Guo, Z, Alexandrov, K, Waldmann, H, Goody, R.S, Blankenfeldt, W. | Deposit date: | 2009-06-20 | Release date: | 2009-09-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design, synthesis, and characterization of Peptide-based rab geranylgeranyl transferase inhibitors J.Med.Chem., 52, 2009
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6TO2
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![BU of 6to2 by Molmil](/molmil-images/mine/6to2) | Crystal structure of CYP154C5 from Nocardia farcinica in complex with 5alpha-Androstan-3-one | Descriptor: | (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, ... | Authors: | Rodriguez, A, Kluenemann, T, Blankenfeldt, W, Schallmey, A. | Deposit date: | 2019-12-11 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | CYP154C5 Regioselectivity in Steroid Hydroxylation Explored by Substrate Modifications and Protein Engineering*. Chembiochem, 22, 2021
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1KD0
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![BU of 1kd0 by Molmil](/molmil-images/mine/1kd0) | Crystal Structure of beta-methylaspartase from Clostridium tetanomorphum. Apo-structure. | Descriptor: | 1,2-ETHANEDIOL, beta-methylaspartase | Authors: | Asuncion, M, Blankenfeldt, W, Barlow, J.N, Gani, D, Naismith, J.H. | Deposit date: | 2001-11-12 | Release date: | 2001-12-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The structure of 3-methylaspartase from Clostridium tetanomorphum functions via the common enolase chemical step. J.Biol.Chem., 277, 2002
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1KCZ
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![BU of 1kcz by Molmil](/molmil-images/mine/1kcz) | Crystal Structure of beta-methylaspartase from Clostridium tetanomorphum. Mg-complex. | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, beta-methylaspartase | Authors: | Asuncion, M, Blankenfeldt, W, Barlow, J.N, Gani, D, Naismith, J.H. | Deposit date: | 2001-11-12 | Release date: | 2001-12-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The structure of 3-methylaspartase from Clostridium tetanomorphum functions via the common enolase chemical step. J.Biol.Chem., 277, 2002
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3QBT
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![BU of 3qbt by Molmil](/molmil-images/mine/3qbt) | Crystal structure of OCRL1 540-678 in complex with Rab8a:GppNHp | Descriptor: | Inositol polyphosphate 5-phosphatase OCRL-1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Hou, X, Hagemann, N, Schoebel, S, Blankenfeldt, W, Goody, R.S, Erdmann, K.S, Itzen, A. | Deposit date: | 2011-01-14 | Release date: | 2011-03-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A structural basis for Lowe syndrome caused by mutations in the Rab-binding domain of OCRL1. Embo J., 30, 2011
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4GTO
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![BU of 4gto by Molmil](/molmil-images/mine/4gto) | FTase in complex with BMS analogue 14 | Descriptor: | 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl trifluoromethanesulfonate, DIMETHYL SULFOXIDE, FARNESYL DIPHOSPHATE, ... | Authors: | Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S. | Deposit date: | 2012-08-29 | Release date: | 2012-10-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Development of Selective, Potent RabGGTase Inhibitors J.Med.Chem., 55, 2012
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6I9W
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![BU of 6i9w by Molmil](/molmil-images/mine/6i9w) | Crystal structure of the halohydrin dehalogenase HheG T123G mutant | Descriptor: | (R,R)-2,3-BUTANEDIOL, CHLORIDE ION, Putative oxidoreductase | Authors: | Kluenemann, T, Blankenfeldt, W, Schallmey, A. | Deposit date: | 2018-11-26 | Release date: | 2019-08-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Position 123 of halohydrin dehalogenase HheG plays an important role in stability, activity, and enantioselectivity. Sci Rep, 9, 2019
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6I9V
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5NCH
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![BU of 5nch by Molmil](/molmil-images/mine/5nch) | GriE apo form | Descriptor: | Leucine hydroxylase | Authors: | Lukat, P, Blankenfeldt, W, Mueller, R. | Deposit date: | 2017-03-05 | Release date: | 2017-10-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.819 Å) | Cite: | Biosynthesis of methyl-proline containing griselimycins, natural products with anti-tuberculosis activity. Chem Sci, 8, 2017
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4X8B
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![BU of 4x8b by Molmil](/molmil-images/mine/4x8b) | 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
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6YZE
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![BU of 6yze by Molmil](/molmil-images/mine/6yze) | 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
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4AY8
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![BU of 4ay8 by Molmil](/molmil-images/mine/4ay8) | SeMet-derivative of a methyltransferase from M. mazei | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1-THIOETHANESULFONIC ACID, GLYCEROL, ... | Authors: | Hoeppner, A, Thomas, F, Rueppel, A, Hensel, R, Blankenfeldt, W, Bayer, P, Faust, A. | Deposit date: | 2012-06-18 | Release date: | 2012-10-31 | Last modified: | 2014-11-05 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of the Corrinoid:Coenzyme M Methyltransferase Mtaa from Methanosarcina Mazei Acta Crystallogr.,Sect.D, 68, 2012
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6ZDT
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![BU of 6zdt by Molmil](/molmil-images/mine/6zdt) | 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
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4GTP
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![BU of 4gtp by Molmil](/molmil-images/mine/4gtp) | FTase in complex with BMS analogue 16 | Descriptor: | 5-{(3R)-3-(4-hydroxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}furan-2-carbaldehyde, DIMETHYL SULFOXIDE, FARNESYL DIPHOSPHATE, ... | Authors: | Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S. | Deposit date: | 2012-08-29 | Release date: | 2012-10-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Development of Selective, Potent RabGGTase Inhibitors J.Med.Chem., 55, 2012
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6I9U
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7R3E
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![BU of 7r3e by Molmil](/molmil-images/mine/7r3e) | 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
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7R3F
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![BU of 7r3f by Molmil](/molmil-images/mine/7r3f) | 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
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4GTR
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![BU of 4gtr by Molmil](/molmil-images/mine/4gtr) | FTase in complex with BMS analogue 13 | Descriptor: | 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl diethylcarbamate, DIMETHYL SULFOXIDE, FARNESYL DIPHOSPHATE, ... | Authors: | Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S. | Deposit date: | 2012-08-29 | Release date: | 2012-10-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Development of Selective, Potent RabGGTase Inhibitors J.Med.Chem., 55, 2012
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4GTQ
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![BU of 4gtq by Molmil](/molmil-images/mine/4gtq) | FTase in complex with BMS analogue 12 | Descriptor: | 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate, FARNESYL DIPHOSPHATE, Protein farnesyltransferase subunit beta, ... | Authors: | Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S. | Deposit date: | 2012-08-29 | Release date: | 2012-10-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Development of Selective, Potent RabGGTase Inhibitors J.Med.Chem., 55, 2012
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