9CAQ
 
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9CBF
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9CBG
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9CBH
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9CBI
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9CBJ
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9CBK
 | | Crystal Structure of Danio rerio Histone Deacetylase 6 in Complex with p-Aminomethyl Phenylthioketone | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-(aminomethyl)phenyl]-2-sulfanylethan-1-one, Hdac6 protein, ... | | Authors: | Goulart Stollmaier, J, Watson, P.R, Christianson, D.W. | | Deposit date: | 2024-06-19 | | Release date: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Design, Synthesis, and Structural Evaluation of Acetylated Phenylthioketone Inhibitors of HDAC10
To be Published
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9CC9
 | | Dodecameric state of the NRC4 resistosome | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, NLR-required for cell death 4 | | Authors: | Liu, F, Yang, Z, Nogales, E, Staskawicz, B.J. | | Deposit date: | 2024-06-21 | | Release date: | 2024-09-11 | | Last modified: | 2024-09-18 | | Method: | ELECTRON MICROSCOPY (3.54 Å) | | Cite: | Activation of the helper NRC4 immune receptor forms a hexameric resistosome.
Cell, 187, 2024
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9CD5
 | | FGFR1 Kinase Domain Soak with Inhibitor TYRA-300 | | Descriptor: | (3P)-5-[(1R)-1-(3,5-dichloropyridin-4-yl)ethoxy]-3-{6-[6-(methanesulfonyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyridin-3-yl}-1H-indazole, 1,2-ETHANEDIOL, Fibroblast growth factor receptor 1, ... | | Authors: | Hoffman, I.H, Nelson, K.J, Rideout, M.C, Frye, C, Bensen, D.C, Hudkins, R.L. | | Deposit date: | 2024-06-24 | | Release date: | 2024-09-25 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.939 Å) | | Cite: | Discovery of TYRA-300: First Oral Selective FGFR3 Inhibitor for the Treatment of Urothelial Cancers and Achondroplasia.
J.Med.Chem., 67, 2024
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9CD7
 | | FGFR3 Kinase Domain with Inhibitor TYRA-300 | | Descriptor: | (3P)-5-[(1R)-1-(3,5-dichloropyridin-4-yl)ethoxy]-3-{6-[6-(methanesulfonyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyridin-3-yl}-1H-indazole, Fibroblast growth factor receptor 3, GLYCEROL, ... | | Authors: | Hoffman, I.H, Nelson, K.J, Rideout, M.C, Nix, J.C, Frye, C, Bensen, D.C, Hudkins, R.L. | | Deposit date: | 2024-06-24 | | Release date: | 2024-09-25 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Discovery of TYRA-300: First Oral Selective FGFR3 Inhibitor for the Treatment of Urothelial Cancers and Achondroplasia.
J.Med.Chem., 67, 2024
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9CE4
 | | Structure of CHK1 10-pt. mutant complex with LRRK2 indazole inhibitor compound 6 | | Descriptor: | (1S,4r)-4-[(1P)-5-chloro-1-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-6-yl]-1-(oxetan-3-yl)piperidin-1-ium, 1,2-ETHANEDIOL, Serine/threonine-protein kinase Chk1 | | Authors: | Palte, R.L, Zebisch, M, Henry, C, Barker, J.J. | | Deposit date: | 2024-06-26 | | Release date: | 2024-09-18 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Discovery and Optimization of N-Heteroaryl Indazole LRRK2 Inhibitors.
J.Med.Chem., 67, 2024
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9CG5
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9CG6
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9CG7
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9CGL
 | | Pikromycin Thioesterase Doubly Protected DAP | | Descriptor: | 2-{[(1R)-1-(6-nitro-2H-1,3-benzodioxol-5-yl)ethyl]sulfanyl}ethyl formate, Narbonolide/10-deoxymethynolide synthase PikA4, module 6 | | Authors: | McCullough, T.M, Smith, J.L. | | Deposit date: | 2024-06-29 | | Release date: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Substrate Trapping in Polyketide Synthase Thioesterase Domains: Structural Basis for Macrolactone Formation
Acs Catalysis, 14, 2024
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9CGM
 | | The Structure of Spiroplasma Virus 4 | | Descriptor: | Capsid protein VP1, DNA binding protein ORF8 | | Authors: | Mietzsch, M, McKenna, R. | | Deposit date: | 2024-06-30 | | Release date: | 2024-07-17 | | Last modified: | 2024-08-07 | | Method: | ELECTRON MICROSCOPY (2.52 Å) | | Cite: | The Structure of Spiroplasma Virus 4 : Exploring the Capsid Diversity of the Microviridae.
Viruses, 16, 2024
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9CGN
 | | Pikromycin Thioesterase with heptaketide adduct | | Descriptor: | (2S,4R,5S,6S,8R,12R,13R)-5,13-dihydroxy-2,4,6,8,12-pentamethyl-3,9-dioxopentadecanal, Narbonolide/10-deoxymethynolide synthase PikA4, module 6 | | Authors: | Smith, J.L, Choudhary, V. | | Deposit date: | 2024-06-30 | | Release date: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Substrate Trapping in Polyketide Synthase Thioesterase Domains: Structural Basis for Macrolactone Formation
Acs Catalysis, 14, 2024
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9CIH
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9CIQ
 | | Crystal structure of human polymerase eta with incoming threofuranosyl thymine nucleoside triphosphate opposite template dA | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ... | | Authors: | Patra, A, Tomar, R, Stone, M.P, Egli, M. | | Deposit date: | 2024-07-04 | | Release date: | 2024-09-18 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | DNA Replication across alpha-l-(3'-2')-Threofuranosyl Nucleotides Mediated by Human DNA Polymerase eta.
Biochemistry, 2024
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9CIW
 | | Penguinpox cGAMP PDE H72A mutant in complex with 2'3'-cGAMP | | Descriptor: | Penguinpox cGAMP PDE, [(2~{R},3~{R},4~{R},5~{S})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [(2~{R},3~{R},4~{S},5~{R})-2-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate | | Authors: | Hobbs, S.J, Nomburg, J, Doudna, J.A, Kranzusch, P.J. | | Deposit date: | 2024-07-05 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Animal and bacterial viruses share conserved mechanisms of immune evasion.
Cell, 2024
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9CJ9
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9CL9
 | | WT 12C IM fraction, B-b3 with RluB bound | | Descriptor: | 23S rRNA, Large ribosomal subunit protein bL20, Large ribosomal subunit protein bL21, ... | | Authors: | Lee, J, Sheng, K, Williamson, J.R. | | Deposit date: | 2024-07-10 | | Release date: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (5.04 Å) | | Cite: | 50S ribosome assembly intermediates at low temperature reveal bound RluB
To Be Published
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9CMZ
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9CP9
 | | Crystal structure of DHPS-3-dehydrogenase, HpsN H319A variant from Cupriavidus pinatubonensis in complex with substrate (R-DHPS) and NADH | | Descriptor: | (2R)-2,3-dihydroxypropane-1-sulfonic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, SULFATE ION, ... | | Authors: | Lee, M. | | Deposit date: | 2024-07-18 | | Release date: | 2024-09-25 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.013 Å) | | Cite: | Structural and kinetic insights into the stereospecific oxidation of R -2,3-dihydroxypropanesulfonate by DHPS-3-dehydrogenase from Cupriavidus pinatubonensis.
Chem Sci, 15, 2024
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9CPG
 | | Structures of small molecules bound to RNA repeat expansions that cause Huntington's disease-like 2 and myotonic dystrophy type 1 | | Descriptor: | 4-carbamimidamidophenyl 4-carbamimidamidobenzoate, RNA (5'-R(*GP*AP*CP*AP*GP*CP*UP*GP*CP*UP*GP*UP*C)-3') | | Authors: | Chen, J.L, Taghavi, A, Disney, M.D, Fountain, M.A, Childs-Disney, J.L. | | Deposit date: | 2024-07-18 | | Release date: | 2024-08-07 | | Method: | SOLUTION NMR | | Cite: | Structures of small molecules bound to RNA repeat expansions that cause Huntington's disease-like 2 and myotonic dystrophy type 1.
Bioorg.Med.Chem.Lett., 2024
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