6Z8L
| Alpha-Amylase in complex with probe fragments | Descriptor: | CALCIUM ION, CHLORIDE ION, Pancreatic alpha-amylase, ... | Authors: | Adam, S, Koehnke, J. | Deposit date: | 2020-06-02 | Release date: | 2020-12-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.40000367 Å) | Cite: | Enhancing glycan stability via site-selective fluorination: modulating substrate orientation by molecular design. Chem Sci, 12, 2020
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7ABB
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7ABA
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6ZSU
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6I86
| Crocagin biosynthetic gene J | Descriptor: | GLYCEROL, Uncharacterized protein | Authors: | Adam, S, Koehnke, J. | Deposit date: | 2018-11-19 | Release date: | 2019-03-13 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The structure of CgnJ, a domain of unknown function protein from the crocagin gene cluster. Acta Crystallogr.,Sect.F, 75, 2019
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4BG2
| X-ray Crystal Structure of PatF from Prochloron didemni | Descriptor: | PATF | Authors: | Bent, A.F, Koehnke, J, Houssen, W.E, Smith, M.C.M, Jaspars, M, Naismith, J.H. | Deposit date: | 2013-03-22 | Release date: | 2013-04-03 | Last modified: | 2013-11-06 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structure of Patf from Prochloron Didemni. Acta Crystallogr.,Sect.F, 69, 2013
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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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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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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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3MW4
| Crystal structure of beta-neurexin 3 without the splice insert 4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-D-mannopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neurexin-2-beta, ... | Authors: | Jin, X, Shapiro, L. | Deposit date: | 2010-05-05 | Release date: | 2010-07-28 | Last modified: | 2021-10-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Splice Form Dependence of beta-Neurexin/Neuroligin Binding Interactions. Neuron, 67, 2010
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3MW3
| Crystal structure of beta-neurexin 2 with the splice insert 4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-D-mannopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neurexin-2-beta | Authors: | Jin, X, Shapiro, L. | Deposit date: | 2010-05-05 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Splice Form Dependence of beta-Neurexin/Neuroligin Binding Interactions. Neuron, 67, 2010
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3MW2
| Crystal structure of beta-neurexin 1 with the splice insert 4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-D-mannopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Neurexin-1-alpha, PHOSPHATE ION | Authors: | Jin, X, Shapiro, L. | Deposit date: | 2010-05-05 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Splice Form Dependence of beta-Neurexin/Neuroligin Binding Interactions. Neuron, 67, 2010
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3ELM
| Crystal Structure of MMP-13 Complexed with Inhibitor 24f | Descriptor: | (2R)-({[5-(4-ethoxyphenyl)thiophen-2-yl]sulfonyl}amino){1-[(1-methylethoxy)carbonyl]piperidin-4-yl}ethanoic acid, CALCIUM ION, Collagenase 3, ... | Authors: | Kulathila, R, Monovich, L, Koehn, J. | Deposit date: | 2008-09-22 | Release date: | 2009-07-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of potent, selective, and orally active carboxylic acid based inhibitors of matrix metalloproteinase-13 J.Med.Chem., 52, 2009
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3D9T
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3D9U
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7ZOC
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6TET
| The structure of CYP121 in complex with inhibitor L21 | Descriptor: | 1,2-ETHANEDIOL, 1-[(~{E})-3-[4-(4-fluorophenyl)phenyl]prop-2-enyl]imidazole, Mycocyclosin synthase, ... | Authors: | Adam, S, Koehnke, J. | Deposit date: | 2019-11-12 | Release date: | 2021-05-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.49986887 Å) | Cite: | Structure-Activity Relationship and Mode-Of-Action Studies Highlight 1-(4-Biphenylylmethyl)-1H-imidazole-Derived Small Molecules as Potent CYP121 Inhibitors. Chemmedchem, 16, 2021
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6TEV
| The structure of CYP121 in complex with inhibitor L44 | Descriptor: | 1,2-ETHANEDIOL, 1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole, Mycocyclosin synthase, ... | Authors: | Adam, S, Koehnke, J. | Deposit date: | 2019-11-12 | Release date: | 2021-05-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.70001268 Å) | Cite: | Structure-Activity Relationship and Mode-Of-Action Studies Highlight 1-(4-Biphenylylmethyl)-1H-imidazole-Derived Small Molecules as Potent CYP121 Inhibitors. Chemmedchem, 16, 2021
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6TE7
| The structure of CYP121 in complex with inhibitor S2 | Descriptor: | 1,2-ETHANEDIOL, 2-chloranyl-4-[4-[(1~{R})-1-imidazol-1-ylprop-2-enyl]phenyl]phenol, Mycocyclosin synthase, ... | Authors: | Adam, S, Koehnke, J. | Deposit date: | 2019-11-11 | Release date: | 2021-05-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.50001824 Å) | Cite: | Structure-Activity Relationship and Mode-Of-Action Studies Highlight 1-(4-Biphenylylmethyl)-1H-imidazole-Derived Small Molecules as Potent CYP121 Inhibitors. Chemmedchem, 16, 2021
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