6T6H
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![BU of 6t6h by Molmil](/molmil-images/mine/6t6h) | Apo structure of the Bottromycin epimerase BotH | Descriptor: | BotH, SODIUM ION, SULFATE ION | Authors: | Koehnke, J, Sikandar, A. | Deposit date: | 2019-10-18 | Release date: | 2020-07-15 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes. Nat.Chem.Biol., 16, 2020
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6T6Z
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6T6Y
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6TH7
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![BU of 6th7 by Molmil](/molmil-images/mine/6th7) | |
6T70
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![BU of 6t70 by Molmil](/molmil-images/mine/6t70) | |
6T6X
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![BU of 6t6x by Molmil](/molmil-images/mine/6t6x) | Structure of the Bottromycin epimerase BotH in complex with substrate | Descriptor: | (4~{R})-2-[(1~{R})-1-[[(2~{S})-2-[[(2~{S})-3-methyl-2-[[(4~{Z},6~{S},9~{S},12~{S})-2,8,11-tris(oxidanylidene)-6,9-di(propan-2-yl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadec-4-en-5-yl]amino]butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-3-oxidanylidene-propyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid, BotH | Authors: | Koehnke, J, Sikandar, A. | Deposit date: | 2019-10-20 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes. Nat.Chem.Biol., 16, 2020
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6F8B
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![BU of 6f8b by Molmil](/molmil-images/mine/6f8b) | LasB bound to thiol based inhibitor | Descriptor: | CALCIUM ION, Elastase, ZINC ION, ... | Authors: | Koehnke, J, Sikandar, A. | Deposit date: | 2017-12-12 | Release date: | 2018-03-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Binding Mode Characterization and Early in Vivo Evaluation of Fragment-Like Thiols as Inhibitors of the Virulence Factor LasB from Pseudomonas aeruginosa. ACS Infect Dis, 4, 2018
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4AKS
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![BU of 4aks by Molmil](/molmil-images/mine/4aks) | PatG macrocyclase domain | Descriptor: | THIAZOLINE OXIDASE/SUBTILISIN-LIKE PROTEASE | Authors: | Koehnke, J, Bent, A, Houssen, W.E, Zollman, D, Morawitz, F, Shirran, S, Vendome, J, Nneoyiegbe, A.F, Trembleau, L, Botting, C.H, Smith, M.C.M, Jaspars, M, Naismith, J.H. | Deposit date: | 2012-02-28 | Release date: | 2012-07-18 | Last modified: | 2013-11-06 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | The Mechanism of Patellamide Macrocyclization Revealed by the Characterization of the Patg Macrocyclase Domain. Nat.Struct.Mol.Biol., 19, 2012
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4AKT
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![BU of 4akt by Molmil](/molmil-images/mine/4akt) | PatG macrocyclase in complex with peptide | Descriptor: | SUBSTRATE ANALOGUE, THIAZOLINE OXIDASE/SUBTILISIN-LIKE PROTEASE | Authors: | Koehnke, J, Bent, A, Houssen, W.E, Zollman, D, Morawitz, F, Shirran, S, Vendome, J, Nneoyiegbe, A.F, Trembleau, L, Botting, C.H, Smith, M.C.M, Jaspars, M, Naismith, J.H. | Deposit date: | 2012-02-28 | Release date: | 2012-07-18 | Last modified: | 2013-11-06 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | The Mechanism of Patellamide Macrocyclization Revealed by the Characterization of the Patg Macrocyclase Domain. Nat.Struct.Mol.Biol., 19, 2012
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6FZX
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![BU of 6fzx by Molmil](/molmil-images/mine/6fzx) | LasB, hydroxymate Inhibitor Complex | Descriptor: | CALCIUM ION, GLYCEROL, Keratinase KP2, ... | Authors: | Koehnke, J, Sikandar, A. | Deposit date: | 2018-03-15 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Tackling Pseudomonas aeruginosa Virulence by a Hydroxamic Acid-Based LasB Inhibitor. ACS Chem. Biol., 13, 2018
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3ZXY
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![BU of 3zxy by Molmil](/molmil-images/mine/3zxy) | Structure of S218A mutant of the protease domain of PatA | Descriptor: | SUBTILISIN-LIKE PROTEIN | Authors: | Koehnke, J, Zollman, D, Vendome, J, Raab, A, Houssen, W.E, Smith, M.C, Jaspars, M, Naismith, J.H. | Deposit date: | 2011-08-16 | Release date: | 2012-08-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | The Discovery of New Cyanobactins from Cyanothece Pcc 7425 Defines a New Signature for Processing of Patellamides. Chembiochem, 13, 2012
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6H96
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![BU of 6h96 by Molmil](/molmil-images/mine/6h96) | AlbA-albicidin complex, albicidin resistance protein | Descriptor: | 4-[[4-[[4-[(3~{S})-5-azanyl-3-[[4-[[(~{E})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoyl]amino]phenyl]carbonylamino]-2-oxidanylidene-3~{H}-pyrrol-1-yl]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid, Albicidin resistance protein, SULFATE ION | Authors: | Koehnke, J, Sikandar, A. | Deposit date: | 2018-08-03 | Release date: | 2018-11-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Adaptation of a Bacterial Multidrug Resistance System Revealed by the Structure and Function of AlbA. J.Am.Chem.Soc., 140, 2018
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6H95
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![BU of 6h95 by Molmil](/molmil-images/mine/6h95) | AlbA, albicidin resistance protein | Descriptor: | Albicidin resistance protein | Authors: | Koehnke, J, Sikandar, A. | Deposit date: | 2018-08-03 | Release date: | 2018-11-21 | Last modified: | 2019-04-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Adaptation of a Bacterial Multidrug Resistance System Revealed by the Structure and Function of AlbA. J.Am.Chem.Soc., 140, 2018
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6HAI
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![BU of 6hai by Molmil](/molmil-images/mine/6hai) | AlbAM131A mutant in complex with albicidin , albicidin resistance protein | Descriptor: | 4-[[4-[[4-[(3~{S})-3-[[4-[[(~{E})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoyl]amino]phenyl]carbonylamino]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid, Albicidin resistance protein, SULFATE ION | Authors: | Koehnke, J, Sikandar, A. | Deposit date: | 2018-08-07 | Release date: | 2018-11-21 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Adaptation of a Bacterial Multidrug Resistance System Revealed by the Structure and Function of AlbA. J.Am.Chem.Soc., 140, 2018
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6H97
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![BU of 6h97 by Molmil](/molmil-images/mine/6h97) | AlbAT99V mutant , albicidin resistance protein | Descriptor: | Albicidin resistance protein | Authors: | Koehnke, J, Sikandar, A. | Deposit date: | 2018-08-03 | Release date: | 2018-11-21 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.598 Å) | Cite: | Adaptation of a Bacterial Multidrug Resistance System Revealed by the Structure and Function of AlbA. J.Am.Chem.Soc., 140, 2018
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6I5S
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![BU of 6i5s by Molmil](/molmil-images/mine/6i5s) | AH, Bottromycin amidohydrolase | Descriptor: | CHLORIDE ION, GLYCEROL, ZINC ION, ... | Authors: | Koehnke, J, Sikandar, A. | Deposit date: | 2018-11-14 | Release date: | 2019-09-25 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Thiazoline-Specific Amidohydrolase PurAH Is the Gatekeeper of Bottromycin Biosynthesis. J.Am.Chem.Soc., 141, 2019
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4BS9
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![BU of 4bs9 by Molmil](/molmil-images/mine/4bs9) | Structure of the heterocyclase TruD | Descriptor: | TRUD, ZINC ION | Authors: | Koehnke, J, Bent, A.F, Zollman, D, Smith, K, Houssen, W.E, Zhu, X, Mann, G, Lebl, T, Scharff, R, Shirran, S, Botting, C.H, Jaspars, M, Schwarz-Linek, U, Naismith, J.H. | Deposit date: | 2013-06-09 | Release date: | 2013-11-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The Cyanobactin Heterocyclase Enzyme: A Processive Adenylase that Operates with a Defined Order of Reaction. Angew.Chem.Int.Ed.Engl., 52, 2013
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4UVQ
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![BU of 4uvq by Molmil](/molmil-images/mine/4uvq) | PatG Domain of Unknown Function | Descriptor: | THIAZOLINE OXIDASE/SUBTILISIN-LIKE PROTEASE, ZINC ION | Authors: | Mann, G, Koehnke, J, Bent, A.F, Graham, R, Schwarz-Linek, U, Naismith, J.H. | Deposit date: | 2014-08-07 | Release date: | 2014-09-17 | Last modified: | 2014-12-17 | Method: | X-RAY DIFFRACTION (1.724 Å) | Cite: | The Structure of the Cyanobactin Domain of Unknown Function from Patg in the Patellamide Gene Cluster Acta Crystallogr.,Sect.F, 70, 2014
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8CR3
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8CR4
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8CR7
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8OII
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7PD7
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![BU of 7pd7 by Molmil](/molmil-images/mine/7pd7) | Crocagin methyl transferase CgnL | Descriptor: | GLYCEROL, Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Zheng, D, Koehnke, J. | Deposit date: | 2021-08-04 | Release date: | 2022-08-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Unusual peptide-binding proteins guide pyrroloindoline alkaloid formation in crocagin biosynthesis. Nat.Chem., 15, 2023
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8AHD
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8A2N
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![BU of 8a2n by Molmil](/molmil-images/mine/8a2n) | Structure of crocagin biosynthetic protein CgnD | Descriptor: | CgnD, SULFATE ION | Authors: | Adam, S, Koehnke, J. | Deposit date: | 2022-06-06 | Release date: | 2023-02-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Unusual peptide-binding proteins guide pyrroloindoline alkaloid formation in crocagin biosynthesis. Nat.Chem., 15, 2023
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