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7QYH
Structure of plasmepsin II in complex with 2-aminoquinazolin-4(3H)-one based open-flap inhibitor
Descriptor:
2-azanyl-3-[[(2~{R})-oxolan-2-yl]methyl]-7-(5-phenylpentyl)quinazolin-4-one, Plasmepsin II
Authors:
Bobrovs, R
,
Jaudzems, K.
Deposit date:
2022-01-28
Release date:
2022-06-29
Last modified:
2024-01-31
Method:
X-RAY DIFFRACTION (3.33 Å)
Cite:
Exploring Aspartic Protease Inhibitor Binding to Design Selective Antimalarials.
J.Chem.Inf.Model., 62, 2022
8QIC
Structure-based identification of salicylic acid derivatives as malarial threonyl tRNA-synthetase inhibitors
Descriptor:
2-oxidanyl-5-[[4-(phenylmethyl)phenyl]sulfamoyl]benzoic acid, GLYCEROL, Threonine--tRNA ligase, ...
Authors:
Rodriguez, J.A
,
Parisini, E.
Deposit date:
2023-09-13
Release date:
2024-04-10
Method:
X-RAY DIFFRACTION (2.5 Å)
Cite:
Structure-based identification of salicylic acid derivatives as malarial threonyl tRNA-synthetase inhibitors.
Plos One, 19, 2024
6QS0
NMR structure of BB_A03, Borrelia burgdorferi outer surface lipoprotein
Descriptor:
Putative outer membrane protein BBA03
Authors:
Fridmanis, J
,
Brangulis, K
,
Jaudzems, K.
Deposit date:
2019-02-20
Release date:
2020-03-18
Last modified:
2024-06-19
Method:
SOLUTION NMR
Cite:
Structural and Functional Analysis of BBA03, Borrelia burgdorferi Competitive Advantage Promoting Outer Surface Lipoprotein.
Pathogens, 9, 2020
6R1V
Solution structure of sortase A from S. aureus in complex with 2-(aminomethyl)-3-hydroxy-4H-pyran-4-one based prodrug
Descriptor:
6-(hydroxymethyl)-3-oxidanyl-2-(thiophen-3-ylmethyl)pyran-4-one, Sortase A
Authors:
Jaudzems, K
,
Leonchiks, A.
Deposit date:
2019-03-15
Release date:
2020-01-22
Last modified:
2023-06-14
Method:
SOLUTION NMR
Cite:
Targeting Bacterial Sortase A with Covalent Inhibitors: 27 New Starting Points for Structure-Based Hit-to-Lead Optimization.
Acs Infect Dis., 6, 2020
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PDB entries from 2024-07-31