9F4E
 
 | | UP1 in complex with Z1152242726 | | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea | | Authors: | Dunnett, L, Prischi, F. | | Deposit date: | 2024-04-27 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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9F4N
 | | UP1 in complex with Z137811222 | | Descriptor: | 1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | | Authors: | Dunnett, L, Prischi, F. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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8YLZ
 | | Structure of a cis-Geranylfarnesyl Diphosphate Synthase from Streptomyces clavuligerus | | Descriptor: | Isoprenyl transferase | | Authors: | Li, F.R, Wang, Q.L, Pan, X.M, Dong, L.B. | | Deposit date: | 2024-03-07 | | Release date: | 2024-05-08 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery, Structure, and Engineering of a cis-Geranylfarnesyl Diphosphate Synthase.
Angew.Chem.Int.Ed.Engl., 63, 2024
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9BJM
 | | Crystal Structure of Inhibitor 5c in Complex with Prefusion RSV F Glycoprotein | | Descriptor: | 1'-{[5-chloro-1-(4,4,4-trifluorobutyl)-1H-1,3-benzimidazol-2-yl]methyl}-1-(methanesulfonyl)spiro[azetidine-3,3'-indol]-2'(1'H)-one, Prefusion RSV F (DS-CAV1),Envelope glycoprotein | | Authors: | Shaffer, P.L, Milligan, C, Abeywickrema, P. | | Deposit date: | 2024-04-25 | | Release date: | 2024-07-10 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Spiro-Azetidine Oxindoles as Long-Acting Injectables for Pre-Exposure Prophylaxis against Respiratory Syncytial Virus Infections.
J.Med.Chem., 67, 2024
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9B5A
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9B5L
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9EO8
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8YIB
 | | Staphylococcus aureus lipase -PSA complex - covalent bonding state | | Descriptor: | ACETIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Kitadokoro, J, Kamitani, S, Kitadokoro, K. | | Deposit date: | 2024-02-29 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Crystal structure of Staphylococcus aureus lipase complex with unsaturated petroselinic acid.
Febs Open Bio, 14, 2024
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9F4V
 | | UP1 in complex with EN300-118084 | | Descriptor: | 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | | Authors: | Dunnett, L, Prischi, F. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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9F9Q
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9EOH
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9EO7
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8XUQ
 | | Cryo-EM structure of tomato NRC2 tetramer | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, NRC2 | | Authors: | Sun, Y, Ma, S.C, Chai, J.J. | | Deposit date: | 2024-01-14 | | Release date: | 2024-05-22 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.17 Å) | | Cite: | Oligomerization-mediated autoinhibition and cofactor binding of a plant NLR.
Nature, 2024
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9F53
 | | UP1 in complex with Z237527902 | | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-(5-methyl-1H-pyrazol-3-yl)acetamide | | Authors: | Dunnett, L, Prischi, F. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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8YF0
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9EO9
 | | SF type tau filament from V337M mutant | | Descriptor: | Isoform Tau-F of Microtubule-associated protein tau | | Authors: | Qi, C, Scheres, S.H.W, Michel, G. | | Deposit date: | 2024-03-14 | | Release date: | 2024-07-10 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Tau filaments with the Alzheimer fold in cases with MAPT mutations V337M and R406W.
Biorxiv, 2024
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9ERN
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8Z0U
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9FDD
 | | The crystal structure of full length tetramer CysB from Klebsiella aerogenes in complex with N-acetylserine | | Descriptor: | HTH-type transcriptional regulator CysB, N-ACETYL-SERINE | | Authors: | Verschueren, K.H.G, Dodson, E.J, Wilkinson, A.J. | | Deposit date: | 2024-05-16 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The Structure of the LysR-type Transcriptional Regulator, CysB, Bound to the Inducer, N-acetylserine.
Eur.Biophys.J., 2024
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9FVO
 | | The HIV protease inhibitor amprenavir binding to the active site of Cryphonectria parasitica endothiapepsin | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, Endothiapepsin, ... | | Authors: | Falke, S, Senst, J.M, Guenther, S, Meents, A. | | Deposit date: | 2024-06-27 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The HIV protease inhibitor amprenavir binding to the active site of Cryphonectria parasitica endothiapepsin
To Be Published
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9BZR
 | | Structure of Class A Beta-lactamase from Bordetella bronchiseptica RB50 in a complex with clavulonate | | Descriptor: | CHLORIDE ION, MALONIC ACID, N-(2-HYDROXY-4-OXO-BUTYL)-N-(3-OXO-TRANSPROPENYL)AMINE, ... | | Authors: | Maltseva, N, Kim, Y, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2024-05-24 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure of Class A Beta-lactamase from Bordetella bronchiseptica RB50 in a complex with clavulonate
To Be Published
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8ZM4
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9IIM
 | | Structure of the complex of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii with nicotinamide adenine dinucleotide at 2.74 A resolution. | | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | | Authors: | Viswanathan, V, Kumari, A, Singh, A, Kumar, A, Sharma, P, Chopra, S, Jeyakanthan, J, Sharma, S, Raje, C.I, Singh, T.P. | | Deposit date: | 2024-06-20 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Structure of the complex of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii with nicotinamide adenine dinucleotide at 2.74 A resolution.
To Be Published
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9ERM
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9EU6
 | | The FK1 domain of FKBP51 in complex with SAFit-analog 23j | | Descriptor: | (1,5-dimethylpyrazol-4-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Meyners, C, Buffa, V, Hausch, F. | | Deposit date: | 2024-03-27 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile.
Chemmedchem, 2024
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