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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8CC4
 | | LasB bound to phosphonic acid based inhibitor | | Descriptor: | CALCIUM ION, Elastase, ZINC ION, ... | | Authors: | Mueller, R, Sikandar, A. | | Deposit date: | 2023-01-26 | | Release date: | 2023-12-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Inhibitors of the Elastase LasB for the Treatment of Pseudomonas aeruginosa Lung Infections.
Acs Cent.Sci., 9, 2023
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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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6ZYL
 | | non-heme monooxygenase; ThoJ apo | | Descriptor: | L(+)-TARTARIC ACID, Uncharacterized protein | | Authors: | Koehnke, J, Sikandar, A. | | Deposit date: | 2020-08-02 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Non-Heme Monooxygenase ThoJ Catalyzes Thioholgamide beta-Hydroxylation.
Acs Chem.Biol., 15, 2020
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6ZYK
 | | Non-heme monooxygenase, ThoJ-Ni complex | | Descriptor: | L(+)-TARTARIC ACID, Monooxygenase, NICKEL (II) ION | | Authors: | Koehnke, J, Sikandar, A. | | Deposit date: | 2020-08-02 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Non-Heme Monooxygenase ThoJ Catalyzes Thioholgamide beta-Hydroxylation.
Acs Chem.Biol., 15, 2020
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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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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: | 2019-04-24 | | 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
 | | 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: | 2019-04-24 | | 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
 | | 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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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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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: | 2020-08-26 | | 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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6T70
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6YGQ
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6YF6
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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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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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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: | 2019-04-24 | | 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
 | | 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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6TH7
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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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