9F4E
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![BU of 9f4e by Molmil](/molmil-images/mine/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
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![BU of 9f4n by Molmil](/molmil-images/mine/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
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![BU of 8ylz by Molmil](/molmil-images/mine/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
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![BU of 9bjm by Molmil](/molmil-images/mine/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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![BU of 9b5a by Molmil](/molmil-images/mine/9b5a) | |
9B5L
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![BU of 9b5l by Molmil](/molmil-images/mine/9b5l) | |
9EO8
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![BU of 9eo8 by Molmil](/molmil-images/mine/9eo8) | |
8YIB
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![BU of 8yib by Molmil](/molmil-images/mine/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
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![BU of 9f4v by Molmil](/molmil-images/mine/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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![BU of 9f9q by Molmil](/molmil-images/mine/9f9q) | |
9EOH
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![BU of 9eoh by Molmil](/molmil-images/mine/9eoh) | |
9EO7
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![BU of 9eo7 by Molmil](/molmil-images/mine/9eo7) | |
8XUQ
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![BU of 8xuq by Molmil](/molmil-images/mine/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
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![BU of 9f53 by Molmil](/molmil-images/mine/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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![BU of 8yf0 by Molmil](/molmil-images/mine/8yf0) | |
9EO9
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![BU of 9eo9 by Molmil](/molmil-images/mine/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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![BU of 9ern by Molmil](/molmil-images/mine/9ern) | |
8Z0U
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![BU of 8z0u by Molmil](/molmil-images/mine/8z0u) | |
9FDD
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![BU of 9fdd by Molmil](/molmil-images/mine/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
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![BU of 9fvo by Molmil](/molmil-images/mine/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
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![BU of 9bzr by Molmil](/molmil-images/mine/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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![BU of 8zm4 by Molmil](/molmil-images/mine/8zm4) | |
9IIM
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![BU of 9iim by Molmil](/molmil-images/mine/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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![BU of 9erm by Molmil](/molmil-images/mine/9erm) | |
9EU6
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![BU of 9eu6 by Molmil](/molmil-images/mine/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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