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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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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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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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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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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4V1U
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4V1T
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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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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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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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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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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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5OFZ
| PllA lectin, apo | Descriptor: | Uncharacterized protein | Authors: | Koehnke, J, Sikandar, A. | Deposit date: | 2017-07-11 | Release date: | 2017-10-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Photorhabdus luminescens lectin A (PllA): A new probe for detecting alpha-galactoside-terminating glycoconjugates. J. Biol. Chem., 292, 2017
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5OFX
| Plla lectin, trisaccharide complex | Descriptor: | CALCIUM ION, PllA, alpha-D-galactopyranose-(1-6)-alpha-D-glucopyranose-(1-2)-beta-D-fructofuranose | Authors: | Koehnke, J, Sikandar, A. | Deposit date: | 2017-07-11 | Release date: | 2017-10-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Photorhabdus luminescens lectin A (PllA): A new probe for detecting alpha-galactoside-terminating glycoconjugates. J. Biol. Chem., 292, 2017
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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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5O2A
| FolD Q98H | 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 (1.9 Å) | Cite: | The natural product carolacton inhibits folate-dependent C1 metabolism by targeting FolD/MTHFD. Nat Commun, 8, 2017
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5O22
| E. coli FolD in complex with carolacton | Descriptor: | Bifunctional protein FolD, Carolacton | Authors: | Koehnke, J, Sikandar, A. | Deposit date: | 2017-05-19 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The natural product carolacton inhibits folate-dependent C1 metabolism by targeting FolD/MTHFD. Nat Commun, 8, 2017
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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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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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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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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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5ODU
| PllA lectin, monosaccharide complex | Descriptor: | CALCIUM ION, PllA, methyl alpha-D-galactopyranoside | Authors: | Koehnke, J, Sikandar, A. | Deposit date: | 2017-07-06 | Release date: | 2017-10-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Photorhabdus luminescens lectin A (PllA): A new probe for detecting alpha-galactoside-terminating glycoconjugates. J. Biol. Chem., 292, 2017
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5OFI
| PllA lectin, Fluorophore carbohydrate complex | Descriptor: | 5-[2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethylcarbamothioylamino]-2-(6-oxidanyl-3-oxidanylidene-4,9-dihydroxanthen-9-yl)benzoic acid, CALCIUM ION, PIIA | Authors: | Koehnke, J, Sikandar, A. | Deposit date: | 2017-07-11 | Release date: | 2017-10-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Photorhabdus luminescens lectin A (PllA): A new probe for detecting alpha-galactoside-terminating glycoconjugates. J. Biol. Chem., 292, 2017
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