4V1U
 
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4V1V
 | | Heterocyclase in complex with substrate and Cofactor | | Descriptor: | LYND, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Koehnke, J, Naismith, J.H. | | Deposit date: | 2014-10-02 | | Release date: | 2015-01-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Structural Analysis of Leader Peptide Binding Enables Leader-Free Cyanobactin Processing.
Nat.Chem.Biol., 11, 2015
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4V1T
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4V2P
 | | Ketosynthase MxnB | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, KETOSYNTHASE, ... | | Authors: | Koehnke, J. | | Deposit date: | 2014-10-13 | | Release date: | 2015-08-26 | | Last modified: | 2018-04-18 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | In vitro reconstitution of alpha-pyrone ring formation in myxopyronin biosynthesis.
Chem Sci, 6, 2015
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7OC7
 | | LasB, alpha-alkyl-N-aryl mercaptoacetamide | | Descriptor: | (2R)-N,3-diphenyl-2-sulfanyl-propanamide, CALCIUM ION, Neutral metalloproteinase, ... | | Authors: | Koehnke, J, Sikandar, A. | | Deposit date: | 2021-04-26 | | Release date: | 2022-01-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Substrate-Inspired Fragment Merging and Growing Affords Efficacious LasB Inhibitors.
Angew.Chem.Int.Ed.Engl., 61, 2022
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5O28
 | | E. coli FolD apo | | Descriptor: | Bifunctional protein FolD | | Authors: | Koehnke, J, Sikandar, A. | | Deposit date: | 2017-05-19 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | The natural product carolacton inhibits folate-dependent C1 metabolism by targeting FolD/MTHFD.
Nat Commun, 8, 2017
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5LHK
 | | Bottromycin maturation enzyme BotP in complex with Mn | | Descriptor: | BICARBONATE ION, Leucine aminopeptidase 2, chloroplastic, ... | | Authors: | Koehnke, J, Adam, S. | | Deposit date: | 2016-07-12 | | Release date: | 2016-10-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Structure and Substrate Recognition of the Bottromycin Maturation Enzyme BotP.
Chembiochem, 17, 2016
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3BOD
 | | Structure of mouse beta-neurexin 1 | | Descriptor: | CALCIUM ION, Neurexin-1-alpha | | Authors: | Koehnke, J, Jin, X, Shapiro, L. | | Deposit date: | 2007-12-17 | | Release date: | 2008-03-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structures of beta-Neurexin 1 and beta-Neurexin 2 Ectodomains and Dynamics of Splice Insertion Sequence 4.
Structure, 16, 2008
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3BOP
 | | Structure of mouse beta-neurexin 2D4 | | Descriptor: | beta-Neurexin 2D4 | | Authors: | Koehnke, J, Jin, X, Shapiro, L. | | Deposit date: | 2007-12-17 | | Release date: | 2008-03-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal Structures of beta-Neurexin 1 and beta-Neurexin 2 Ectodomains and Dynamics of Splice Insertion Sequence 4.
Structure, 16, 2008
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5LHJ
 | | Bottromycin maturation enzyme BotP | | Descriptor: | CHLORIDE ION, GLYCEROL, Leucine aminopeptidase 2, ... | | Authors: | Koehnke, J, Mann, G. | | Deposit date: | 2016-07-12 | | Release date: | 2016-10-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structure and Substrate Recognition of the Bottromycin Maturation Enzyme BotP.
Chembiochem, 17, 2016
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7NLM
 | | LasB, N-aryl-2-butylmercaptoacetamide | | Descriptor: | (S)-2-mercapto-N-(4-methoxyphenyl)-4-methylpentanamide, CALCIUM ION, Pro-elastase, ... | | Authors: | Koehnke, J, Sikandar, A. | | Deposit date: | 2021-02-22 | | Release date: | 2022-09-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | LasB, N-aryl-2-butylmercaptoacetamide inhibitor complex
to be published
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7NLK
 | | LasB, N-aryl-2-butylmercaptoacetamide | | Descriptor: | (S)-2-mercapto-4-methyl-N-(p-tolyl)pentanamide, CALCIUM ION, Pro-elastase, ... | | Authors: | Koehnke, J, Sikandar, A. | | Deposit date: | 2021-02-22 | | Release date: | 2022-09-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | LasB, N-aryl-2-butylmercaptoacetamide inhibitor complex
to be published
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8OO2
 | | ChdA complex with amido-chelocardin | | Descriptor: | 2-carboxamido-2-deacetyl-chelocardin, MAGNESIUM ION, Putative transcriptional regulator | | Authors: | Koehnke, J, Sikandar, A. | | Deposit date: | 2023-04-04 | | Release date: | 2023-08-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Revision of the Absolute Configurations of Chelocardin and Amidochelocardin.
Angew.Chem.Int.Ed.Engl., 62, 2023
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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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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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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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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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6TH7
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6T70
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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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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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3ZXX
 | | Structure of self-cleaved 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 (1.95 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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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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