7BB4
 
 | | Crystal structure of perdeuterated PLL lectin in complex with L-fucose | | Descriptor: | GLYCEROL, PLL lectin, alpha-L-fucopyranose, ... | | Authors: | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | | Deposit date: | 2020-12-16 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
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6QB9
 | | Structure of an anti-Mcl1 scFv | | Descriptor: | L(+)-TARTARIC ACID, scFv55 | | Authors: | Hargreaves, D. | | Deposit date: | 2018-12-20 | | Release date: | 2019-11-06 | | Last modified: | 2019-11-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1.
Acta Crystallogr D Struct Biol, 75, 2019
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7SWU
 | | Crystal structure of the chromoprotein spisPINK | | Descriptor: | Chromoprotein spisPINK | | Authors: | Caputo, A.T, Newman, J, Scott, C, Ahmed, H. | | Deposit date: | 2021-11-21 | | Release date: | 2022-04-20 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.444 Å) | | Cite: | Over the rainbow: structural characterization of the chromoproteins gfasPurple, amilCP, spisPink and eforRed.
Acta Crystallogr D Struct Biol, 78, 2022
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7ZP2
 | | Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with BDA-04 | | Descriptor: | Aspartate carbamoyltransferase, SODIUM ION, SULFATE ION, ... | | Authors: | Wang, C, Zhang, B, Groves, M.R. | | Deposit date: | 2022-04-26 | | Release date: | 2022-08-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.292 Å) | | Cite: | Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
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7SWR
 | | Crystal structure of the chromoprotein gfasPurple | | Descriptor: | CHLORIDE ION, Chromoprotein gfasPurple | | Authors: | Caputo, A.T, Newman, J, Peat, T.S, Scott, C, Ahmed, H. | | Deposit date: | 2021-11-21 | | Release date: | 2022-04-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.388 Å) | | Cite: | Over the rainbow: structural characterization of the chromoproteins gfasPurple, amilCP, spisPink and eforRed.
Acta Crystallogr D Struct Biol, 78, 2022
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6D30
 | | Structure of human Usb1 with uridine-uridine, inactive H208Q mutant | | Descriptor: | CHLORIDE ION, RNA (5'-R(UP*U)-3'), U6 snRNA phosphodiesterase | | Authors: | Nomura, Y, Montemayor, E.J, Butcher, S.E. | | Deposit date: | 2018-04-14 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Structural and mechanistic basis for preferential deadenylation of U6 snRNA by Usb1.
Nucleic Acids Res., 46, 2018
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8U6M
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(2-(2-((6-chloro-2-cyanoindolizin-8-yl)oxy)phenoxy)ethyl)-N-methylacrylamide (JLJ751), a non-nucleoside inhibitor | | Descriptor: | N-[2-(2-{[(4R)-6-chloro-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide, Reverse transcriptase/ribonuclease H, p51 RT | | Authors: | Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2023-09-13 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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7B9Z
 | | Structure of the FKBP51FK1 domain in complex with the macrocyclic SAFit analogue 35-(E) | | Descriptor: | 2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-25,26-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.3.1.113,17.04,9]nonacosa-1(27),13(29),14,16,20,24(28),25-heptaene-3,10-dione, Peptidyl-prolyl cis-trans isomerase FKBP5, isothiocyanate | | Authors: | Bauder, M, Meyners, C, Purder, P, Merz, S, Voll, A, Heymann, T, Hausch, F. | | Deposit date: | 2020-12-15 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Structure-Based Design of High-Affinity Macrocyclic FKBP51 Inhibitors.
J.Med.Chem., 64, 2021
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6FLO
 | | Regulatory subunit of a cAMP-independent protein kinase A from Trypanosoma brucei at 2.1 Angstrom resolution | | Descriptor: | GLYCEROL, INOSINE, Protein kinase A regulatory subunit | | Authors: | Volpato Santos, Y, Lorentzen, E, Basquin, J, Boshart, M. | | Deposit date: | 2018-01-26 | | Release date: | 2019-08-14 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.13868666 Å) | | Cite: | Purine nucleosides replace cAMP in allosteric regulation of PKA in trypanosomatid pathogens.
Elife, 12, 2024
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7ZST
 | | Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with FLA-01 | | Descriptor: | 2-azanyl-~{N}-(2-methoxyethyl)-5-phenyl-thiophene-3-carboxamide, Aspartate carbamoyltransferase, GLYCEROL, ... | | Authors: | Wang, C, Zhang, B, Groves, M.R. | | Deposit date: | 2022-05-08 | | Release date: | 2022-08-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
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7BAD
 | | Crystal structure of PAFB in complex with p-sulfonato-calix[8]arene and zinc | | Descriptor: | Antifungal protein, PHOSPHATE ION, ZINC ION, ... | | Authors: | Guagnini, F, Huber, A, Alex, J.M, Marx, F, Crowley, P.B. | | Deposit date: | 2020-12-15 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Porous assembly of an antifungal protein mediated by zinc and sulfonato-calix[8]arene.
J.Struct.Biol., 213, 2021
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6FW2
 | | Crystal Structure of human mARC1 | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MOLYBDATE ION, Mitochondrial amidoxime-reducing component 1,Endolysin,Mitochondrial amidoxime-reducing component 1, ... | | Authors: | Kubitza, C, Scheidig, A. | | Deposit date: | 2018-03-05 | | Release date: | 2018-10-31 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Crystal structure of human mARC1 reveals its exceptional position among eukaryotic molybdenum enzymes.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6JUV
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7T7Z
 | | The crystal structure of family 8 carbohydrate-binding module from Dictyostelium discoideum | | Descriptor: | (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, Endoglucanase, ... | | Authors: | Marcelo, M.V, Campos, B.M, Squina, F.M. | | Deposit date: | 2021-12-15 | | Release date: | 2022-04-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Unique properties of a Dictyostelium discoideum carbohydrate-binding module expand our understanding of CBM-ligand interactions.
J.Biol.Chem., 298, 2022
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8U6D
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(2-(4-chloro-3-(3-chloro-5-cyanophenoxy)phenoxy)ethyl)-N-methylacrylamide (JLJ736), a non-nucleoside inhibitor | | Descriptor: | N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}-N-methylprop-2-enamide, Reverse transcriptase/ribonuclease H, p51 RT | | Authors: | Hollander, K, Carter, Z, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2023-09-13 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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7ZH9
 | | Uba1 in complex with ATP | | Descriptor: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Misra, M, Schindelin, H. | | Deposit date: | 2022-04-05 | | Release date: | 2022-08-31 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structures of UBA6 explain its dual specificity for ubiquitin and FAT10.
Nat Commun, 13, 2022
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6FWD
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8U6S
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 8-(2-(3-morpholino-3-oxopropoxy)phenoxy)indolizine-2-carbonitrile (JLJ757), a non-nucleoside inhibitor | | Descriptor: | (4S)-8-{2-[3-(morpholin-4-yl)-3-oxopropoxy]phenoxy}indolizine-2-carbonitrile, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2023-09-13 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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6CUK
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7T28
 | | Structure of phage Bsp38 anti-Pycsar nuclease Apyc1 in apo state | | Descriptor: | Putative metal-dependent hydrolase, ZINC ION | | Authors: | Hobbs, S.J, Wein, T, Lu, A, Morehouse, B.R, Schnabel, J, Sorek, R, Kranzusch, P.J. | | Deposit date: | 2021-12-03 | | Release date: | 2022-04-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Phage anti-CBASS and anti-Pycsar nucleases subvert bacterial immunity.
Nature, 605, 2022
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6Q27
 | | N-acetylmannosamine kinase with N-acetylmannosamine from Staphylococcus aureus | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-mannopyranose, Glucokinase | | Authors: | Coombes, D, Horne, C.R, Davies, J.S, Dobson, R.C.J. | | Deposit date: | 2019-08-07 | | Release date: | 2020-01-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The basis for non-canonical ROK family function in theN-acetylmannosamine kinase from the pathogenStaphylococcus aureus.
J.Biol.Chem., 295, 2020
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6FWO
 | | Structure of an E336Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-1,2-anhydro-mannose hydrolyzed by enzyme | | Descriptor: | (1~{S},2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, ACETATE ION, Glycosyl hydrolase family 71, ... | | Authors: | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | | Deposit date: | 2018-03-06 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
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6YJ2
 | | Structural and DNA binding studies of the transcriptional repressor Rv2506 (BkaR) from Mycobacterium tuberculosis supports a role in L-Leucine catabolism | | Descriptor: | GLYCEROL, Probable transcriptional regulatory protein (Probably TetR-family) | | Authors: | Keep, N.H, Pritchard, J.E, Sula, A, Cole, A.R, Kendall, S.L. | | Deposit date: | 2020-04-02 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and DNA binding studies of the transcriptional repressor Rv2506 (BkaR) from Mycobacterium tuberculosis supports a role in L-Leucine catabolism
To be published
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7ZK1
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6Q2Q
 | | Crystal structure of mouse viperin bound to uridine triphosphate and S-adenosylhomocysteine | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, IRON/SULFUR CLUSTER, ... | | Authors: | Fenwick, M.K, Dong, M, Lin, H, Ealick, S.E. | | Deposit date: | 2019-08-08 | | Release date: | 2020-01-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.892 Å) | | Cite: | Structural Basis of the Substrate Selectivity of Viperin.
Biochemistry, 59, 2020
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