9DUI
 
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7SGC
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7SQM
 | | Discovery and Preclinical Pharmacology of INE963, A Potent and Fast-Acting Blood-Stage Antimalarial with a High Barrier to Resistance and Potential for Single-Dose Cure in Uncomplicated Malaria | | Descriptor: | 1-[(4S)-5-(2,4-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-amine, GLYCEROL, Serine/threonine-protein kinase haspin | | Authors: | Shu, W, Yokokawa, F. | | Deposit date: | 2021-11-05 | | Release date: | 2021-12-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Failure of artesunate-mefloquine combination therapy for uncompli-cated Plasmodium falciparum malaria in southern Cambodia.
Malar. J., 2009, 8, 10, 2009
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9IYK
 | | Crystal structure of hSOD1 in C121 space group | | Descriptor: | ACETATE ION, COPPER (II) ION, SULFATE ION, ... | | Authors: | Yapici, I, DeMirci, H. | | Deposit date: | 2024-07-30 | | Release date: | 2024-08-14 | | Last modified: | 2025-05-28 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Structural Insights into the Dynamics of Water in SOD1 Catalysis and Drug Interactions.
Int J Mol Sci, 26, 2025
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6ZFW
 | | X-ray structure of the soluble N-terminal domain of T. cruzi PEX-14 | | Descriptor: | ACETATE ION, BETA-MERCAPTOETHANOL, GLYCEROL, ... | | Authors: | Softley, C.A, Ostertag, M.O, Sattler, M, Popowicz, G.P. | | Deposit date: | 2020-06-18 | | Release date: | 2020-12-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Deep learning model predicts water interaction sites on the surface of proteins using limited-resolution data.
Chem.Commun.(Camb.), 56, 2020
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7YM1
 | | Structure of SsbA protein in complex with the anticancer drug 5-fluorouracil | | Descriptor: | 5-FLUOROURACIL, GLYCEROL, Single-stranded DNA-binding protein | | Authors: | Huang, Y.H, Yang, P.C, Chiang, W.Y, Lin, E.S, Huang, C.Y. | | Deposit date: | 2022-07-27 | | Release date: | 2023-08-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Crystal Structure of DNA Replication Protein SsbA Complexed with the Anticancer Drug 5-Fluorouracil.
Int J Mol Sci, 24, 2023
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7CA0
 | | Crystal structure of dihydroorotase in complex with 5-fluoroorotic acid from Saccharomyces cerevisiae | | Descriptor: | 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, Dihydroorotase, ZINC ION | | Authors: | Guan, H.H, Huang, Y.H, Huang, C.Y, Chen, C.J. | | Deposit date: | 2020-06-08 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Complexed Crystal Structure of Saccharomyces cerevisiae Dihydroorotase with Inhibitor 5-Fluoroorotate Reveals a New Binding Mode.
Bioinorg Chem Appl, 2021, 2021
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7CA1
 | | Crystal structure of dihydroorotase in complex with plumbagin from Saccharomyces cerevisiae | | Descriptor: | (2S)-2-hydroxybutanedioic acid, 5-hydroxy-2-methylnaphthalene-1,4-dione, Dihydroorotase, ... | | Authors: | Guan, H.H, Huang, Y.H, Huang, C.Y, Chen, C.J. | | Deposit date: | 2020-06-08 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Plumbagin, a Natural Product with Potent Anticancer Activities, Binds to and Inhibits Dihydroorotase, a Key Enzyme in Pyrimidine Biosynthesis.
Int J Mol Sci, 22, 2021
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9EAT
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9EBZ
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9EAW
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7CET
 | | Crystal structure of D-cycloserine-bound form of cysteine desulfurase NifS from Helicobacter pylori | | Descriptor: | (5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate, CHLORIDE ION, Cysteine desulfurase IscS, ... | | Authors: | Nakamura, R, Takahashi, Y, Fujishiro, T. | | Deposit date: | 2020-06-24 | | Release date: | 2021-06-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms.
Febs J., 2022
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7CEQ
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7CER
 | | Crystal structure of D-cycloserine-bound form of cysteine desulfurase SufS H121A from Bacillus subtilis | | Descriptor: | Cysteine desulfurase SufS, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Nakamura, R, Takahashi, Y, Fujishiro, T. | | Deposit date: | 2020-06-24 | | Release date: | 2021-06-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms.
Febs J., 2022
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9JS5
 | | Crystal structure of the ASFV-derived histone-like protein pA104R | | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, Viral histone-like protein | | Authors: | Li, Q, Shao, H, Yi, D, Cen, S. | | Deposit date: | 2024-09-30 | | Release date: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Thonningianin A disrupts pA104R-DNA binding and inhibits African swine fever virus replication.
Emerg Microbes Infect, 14, 2025
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7CEP
 | | Crystal structure of L-cycloserine-bound form of cysteine desulfurase SufS from Bacillus subtilis | | Descriptor: | (5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate, Cysteine desulfurase SufS, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Nakamura, R, Yasuhiro, T, Fujishiro, T. | | Deposit date: | 2020-06-24 | | Release date: | 2021-06-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms.
Febs J., 2022
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7CEO
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7CEU
 | | Crystal structure of L-cycloserine-bound form of cysteine desulfurase NifS from Helicobacter pylori | | Descriptor: | (5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate, Cysteine desulfurase IscS, ISOPROPYL ALCOHOL | | Authors: | Nakamura, R, Takahashi, Y, Fujishiro, T. | | Deposit date: | 2020-06-24 | | Release date: | 2021-06-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms.
Febs J., 2022
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7CES
 | | Crystal structure of L-cycloserine-bound form of cysteine desulfurase SufS H121A from Bacillus subtilis | | Descriptor: | (5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate, Cysteine desulfurase SufS, DI(HYDROXYETHYL)ETHER | | Authors: | Nakamura, R, Takahashi, Y, Fujishiro, T. | | Deposit date: | 2020-06-24 | | Release date: | 2021-06-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms.
Febs J., 2022
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6ZK0
 | | 1.47A human IMPase with ebselen | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Inositol monophosphatase 1, ... | | Authors: | Bax, B.D, Fenn, G.D. | | Deposit date: | 2020-06-29 | | Release date: | 2020-09-23 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Crystallization and structure of ebselen bound to Cys141 of human inositol monophosphatase.
Acta Crystallogr.,Sect.F, 76, 2020
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8DAF
 | | Human SF-1 LBD bound to synthetic agonist 6N-10CA and bacterial phospholipid | | Descriptor: | 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name), DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor coactivator 2, ... | | Authors: | D'Agostino, E.H, Cato, M.L, Ortlund, E.A. | | Deposit date: | 2022-06-13 | | Release date: | 2023-06-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Comparison of activity, structure, and dynamics of SF-1 and LRH-1 complexed with small molecule modulators.
J.Biol.Chem., 299, 2023
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9E0Q
 | | CryoEM structure of inducible Lysine decarboxylase from Hafnia alvei D-hydrazino-Lysine analog at 2.3 Angstrom resolution | | Descriptor: | (2R)-6-amino-2-[(2E)-2-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)hydrazin-1-yl]hexanoic acid, Lysine decarboxylase, inducible | | Authors: | Duhoo, Y, Desfosses, A, Gutsche, I, Doukov, T.I, Berkowitz, D.B. | | Deposit date: | 2024-10-18 | | Release date: | 2025-07-30 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | alpha-Hydrazino Acids Inhibit Pyridoxal Phosphate-Dependent Decarboxylases via "Catalytically Correct" Ketoenamine Tautomers: A Special Motif for Chemical Biology and Drug Discovery?
Acs Catalysis, 15, 2025
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7A5U
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9DJ8
 | | RNA-nsp9 bound to the NiRAN domain of the E-RTC with an empty G-pocket | | Descriptor: | ADENOSINE MONOPHOSPHATE, Non-structural protein 9, RNA-directed RNA polymerase, ... | | Authors: | Small, G.I, Darst, S.A, Campbell, E.A. | | Deposit date: | 2024-09-06 | | Release date: | 2025-03-19 | | Last modified: | 2025-10-01 | | Method: | ELECTRON MICROSCOPY (2.58 Å) | | Cite: | The mechanism for GTP-mediated RNA capping by the SARS-CoV-2 NiRAN domain remains unresolved.
Cell, 188, 2025
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9DIN
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