6PMD
 
 | |
6RJ0
 | |
3PHE
 | | HCV NS5B with a bound quinolone inhibitor | | Descriptor: | 4-chlorobenzyl 6-fluoro-7-(4-methylpiperazin-1-yl)-1-[4-(methylsulfonyl)benzyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate, HCV encoded nonstructural 5B protein | | Authors: | Somoza, J.R, To, N, Lehoux, I. | | Deposit date: | 2010-11-03 | | Release date: | 2010-11-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Quinolones as HCV NS5B polymerase inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
|
|
4TVM
 | |
4TVO
 | |
7UE8
 | | PANK3 complex structure with compound PZ-3890 | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethan-1-one, ACETATE ION, ... | | Authors: | White, S.W, Yun, M, Lee, R.E. | | Deposit date: | 2022-03-21 | | Release date: | 2023-03-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Relief of CoA sequestration and restoration of mitochondrial function in a mouse model of propionic acidemia.
J Inherit Metab Dis, 46, 2023
|
|
5DRO
 | | Structure of the Aquifex aeolicus LpxC/LPC-011 Complex | | Descriptor: | 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Lee, C.-J, Najeeb, J, Zhou, P. | | Deposit date: | 2015-09-16 | | Release date: | 2016-03-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
|
|
5DRP
 | | Structure of the AaLpxC/LPC-023 Complex | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, N~2~-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N-hydroxy-L-isoleucinamide, ... | | Authors: | Najeeb, J, Lee, C.-J, Zhou, P. | | Deposit date: | 2015-09-16 | | Release date: | 2016-03-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.889 Å) | | Cite: | Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
|
|
5DRR
 | | Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-058 complex | | Descriptor: | 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide, NITRATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ... | | Authors: | Lee, C.-J, Najeeb, J, Zhou, P. | | Deposit date: | 2015-09-16 | | Release date: | 2016-03-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
|
|
5DRQ
 | | Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-040 complex | | Descriptor: | N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzamide, NITRATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ... | | Authors: | Lee, C.-J, Najeeb, J, Zhou, P. | | Deposit date: | 2015-09-16 | | Release date: | 2016-03-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
|
|
6HGY
 | | CRYSTAL STRUCTURE OF CATHEPSIN K WITH N-DESMETHYL THALASSOSPIRAMIDE C | | Descriptor: | Cathepsin K, THALASSOSPIRAMIDE C | | Authors: | Zakarian, A, Buckman, B.O, Adler, M, Griessner, A, Blaesse, M. | | Deposit date: | 2018-08-23 | | Release date: | 2019-06-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Total Synthesis of Covalent Cysteine Protease Inhibitor N-Desmethyl Thalassospiramide C and Crystallographic Evidence for Its Mode of Action.
Org.Lett., 21, 2019
|
|
5DAZ
 | |
7L5E
 | |
1RGA
 | |
4LVQ
 | |
4MQY
 | | Crystal Structure of the Escherichia coli LpxC/LPC-138 complex | | Descriptor: | 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-2-methyl-1-nitroso-1-oxobutan-2-yl]benzamide, 4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide, DIMETHYL SULFOXIDE, ... | | Authors: | Lee, C.-J, Najeeb, J, Zhou, P. | | Deposit date: | 2013-09-17 | | Release date: | 2013-10-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.005 Å) | | Cite: | Structural Basis of the Promiscuous Inhibitor Susceptibility of Escherichia coli LpxC.
Acs Chem.Biol., 9, 2014
|
|
4ISA
 | | Crystal Structure of the Escherichia coli LpxC/BB-78485 complex | | Descriptor: | (2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide, (4S,5S)-1,2-DITHIANE-4,5-DIOL, FORMIC ACID, ... | | Authors: | Lee, C.-J, Zhou, P. | | Deposit date: | 2013-01-16 | | Release date: | 2013-10-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis of the Promiscuous Inhibitor Susceptibility of Escherichia coli LpxC.
Acs Chem.Biol., 9, 2014
|
|
4IS9
 | | Crystal Structure of the Escherichia coli LpxC/L-161,240 complex | | Descriptor: | (4R)-2-(3,4-dimethoxy-5-propylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide, ISOPROPYL ALCOHOL, SODIUM ION, ... | | Authors: | Lee, C.-J, Zhou, P. | | Deposit date: | 2013-01-16 | | Release date: | 2013-10-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Structural Basis of the Promiscuous Inhibitor Susceptibility of Escherichia coli LpxC.
Acs Chem.Biol., 9, 2014
|
|
2MW7
 | |
5TLB
 | | Scabin toxin from Streptomyces scabies in complex with NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Scabin | | Authors: | Lyons, B, Dutta, D, Ravulapalli, R, Merrill, A.R. | | Deposit date: | 2016-10-10 | | Release date: | 2017-10-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Characterization of the catalytic signature of Scabin toxin, a DNA-targeting ADP-ribosyltransferase.
Biochem. J., 475, 2018
|
|
7JLS
 | | RV3666c bound to tripeptide | | Descriptor: | Peptide SER-VAL-ALA, Probable periplasmic dipeptide-binding lipoprotein DppA | | Authors: | Lee, R.E, Griffith, E.C, Miller, D.J. | | Deposit date: | 2020-07-30 | | Release date: | 2021-06-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Biophysical analysis of the Mycobacteria tuberculosis peptide binding protein DppA reveals a stringent peptide binding pocket.
Tuberculosis (Edinb), 132, 2021
|
|
