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
|
|
5W3K
| Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase in complex NADPH, Mg2+ and CPD | Descriptor: | Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Patel, K.M, Teran, D, Zheng, S, Kandale, A, Schembri, M, McGeary, R.P, Schenk, G, Guddat, L.W. | Deposit date: | 2017-06-08 | Release date: | 2017-10-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.589 Å) | Cite: | Crystal Structures of Staphylococcus aureus Ketol-Acid Reductoisomerase in Complex with Two Transition State Analogues that Have Biocidal Activity. Chemistry, 23, 2017
|
|
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
|
|
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
|
|
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
|
|
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
|
|
6CAD
| Crystal structure of RAF kinase domain bound to the inhibitor 2a | Descriptor: | 1-(propan-2-yl)-3-({3-[3-(trifluoromethyl)phenyl]isoquinolin-8-yl}ethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Serine/threonine-protein kinase B-raf | Authors: | Maisonneuve, P, Kurinov, I, Assadieskandar, A, Yu, C, Liu, X, Chen, Y.-C, Prakash, G.K.S, Zhang, C, SIcheri, F. | Deposit date: | 2018-01-30 | Release date: | 2018-02-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Effects of rigidity on the selectivity of protein kinase inhibitors. Eur J Med Chem, 146, 2018
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|