9IOU
 
 | |
9IOS
 | |
6FRJ
 | | Crystal structure of scFv-SM3 in complex with APD-SeThrGalNAc-RP | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, APD-SeThr-RP, ... | | Authors: | Companon, I, Castro-Lopez, J, Escudero-Casao, M, Avenoza, A, Busto, J.H, Castillon, S, Jimenez-Barbero, J, Bernardes, G.J, Boutureira, O, Jimenez-Oses, G, Asensio, J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F. | | Deposit date: | 2018-02-16 | | Release date: | 2019-02-20 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure-Based Design of Potent Tumor-Associated Antigens: Modulation of Peptide Presentation by Single-Atom O/S or O/Se Substitutions at the Glycosidic Linkage.
J. Am. Chem. Soc., 141, 2019
|
|
448D
 | | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', BENZIMIDAZOLE DERIVATIVE COMPLEX | | Descriptor: | 2'-(3-IODO-4-METHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | | Authors: | Clark, G.R, Squire, C.J, Martin, R.F, White, J. | | Deposit date: | 1999-01-20 | | Release date: | 2000-02-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res., 28, 2000
|
|
443D
 | | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'/ BENZIMIDAZOLE DERIVATIVE COMPLEX | | Descriptor: | 2'-(3-IODOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | | Authors: | Squire, C.J, Baker, L.J, Clark, G.R, Martin, R.F, White, J. | | Deposit date: | 1999-01-14 | | Release date: | 2000-02-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res., 28, 2000
|
|
442D
 | | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', BENZIMIDAZOLE DERIVATIVE COMPLEX | | Descriptor: | 2'-(3-IODO-4-METHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | | Authors: | Clark, G.R, Squire, C.J, Martin, R.F, White, J. | | Deposit date: | 1999-01-14 | | Release date: | 2000-02-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res., 28, 2000
|
|
444D
 | | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', BENZIMIDAZOLE DERIVATIVE COMPLEX | | Descriptor: | 2'-(3-IODO-4-METHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | | Authors: | Clark, G.R, Squire, C.J, Martin, R.F, White, J. | | Deposit date: | 1999-01-14 | | Release date: | 2000-02-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res., 28, 2000
|
|
3IZD
 | | Model of the large subunit RNA expansion segment ES27L-out based on a 6.1 A cryo-EM map of Saccharomyces cerevisiae translating 80S ribosome. 3IZD is a small part (an expansion segment) which is in an alternative conformation to what is in already 3IZF. | | Descriptor: | rRNA expansion segment ES27L in an "out" conformation | | Authors: | Armache, J.-P, Jarasch, A, Anger, A.M, Villa, E, Becker, T, Bhushan, S, Jossinet, F, Habeck, M, Dindar, G, Franckenberg, S, Marquez, V, Mielke, T, Thomm, M, Berninghausen, O, Beatrix, B, Soeding, J, Westhof, E, Wilson, D.N, Beckmann, R. | | Deposit date: | 2010-10-13 | | Release date: | 2010-12-01 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (8.6 Å) | | Cite: | Cryo-EM structure and rRNA model of a translating eukaryotic 80S ribosome at 5.5-A resolution.
Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
9SQ9
 | |
9OPV
 | | Herpes simplex virus type 1 (HSV-1) C-Capsid portal turrets | | Descriptor: | Capsid portal protein | | Authors: | Crofut, E.H, Kashyap, S, Stevens, A, Jih, J, Liu, Y.-T, Zhou, Z.H. | | Deposit date: | 2025-05-20 | | Release date: | 2025-06-11 | | Last modified: | 2025-07-30 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure of a new capsid form and comparison with A-, B-, and C-capsids clarify herpesvirus assembly.
J.Virol., 99, 2025
|
|
4P3U
 | |
9OUG
 | | Influenza A Virus Nucleoprotein(8-498)NP complex with rac-5-(4-(((2R,6R)-6-(methoxymethyl)-6-methyl-1,4-dioxan-2-yl)methoxy)phenyl)-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide (Compound 20) | | Descriptor: | 5-(4-{[(2R,6S)-6-(methoxymethyl)-6-methyl-1,4-dioxan-2-yl]methoxy}phenyl)-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide, Nucleoprotein | | Authors: | Mamo, M. | | Deposit date: | 2025-05-28 | | Release date: | 2025-08-06 | | Last modified: | 2025-08-20 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Discovery and Optimization of a Novel Series of Influenza A Virus Replication Inhibitors Targeting the Nucleoprotein Protein-Protein Interaction.
J.Med.Chem., 68, 2025
|
|
9WD8
 | | structure of human KCNQ1-KCNE3-CaM complex with two PIP2 | | Descriptor: | (2R)-3-{[(S)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl di[(9Z)-octadec-9-enoate], CALCIUM ION, Calmodulin-1, ... | | Authors: | Cui, C, Sun, J. | | Deposit date: | 2025-08-18 | | Release date: | 2025-09-03 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Mechanisms of KCNQ1 gating modulation by KCNE1/3 for cell-specific function.
Cell Res., 2025
|
|
9QIU
 | | Crystal structure of YTHDF2 in complex with compound 13 (AI-DF2-56) | | Descriptor: | 3-sulfanyl-1,2,4-triazin-5-ol, GLYCEROL, SULFATE ION, ... | | Authors: | Nai, F, Invernizzi, A, Caflisch, A. | | Deposit date: | 2025-03-17 | | Release date: | 2025-07-09 | | Last modified: | 2025-09-10 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Discovery of YTHDF2 Ligands by Fragment-Based Design.
Acs Bio Med Chem Au, 5, 2025
|
|
9QFL
 | | Crystal structure of YTHDF2 in complex with compound 15 (AI-DF2-68) | | Descriptor: | 6-sulfanylidene-1,7-dihydropyrazolo[3,4-d]pyrimidin-4-one, GLYCEROL, SULFATE ION, ... | | Authors: | Nai, F, Invernizzi, A, Caflisch, A. | | Deposit date: | 2025-03-11 | | Release date: | 2025-07-09 | | Last modified: | 2025-09-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of YTHDF2 Ligands by Fragment-Based Design.
Acs Bio Med Chem Au, 5, 2025
|
|
9OTW
 | | Influenza A Virus Nucleoprotein(8-498)NP complex with 5-(4-{[(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methoxy}phenyl)-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide (compound 13) | | Descriptor: | 5-(4-{[(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methoxy}phenyl)-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide, MAGNESIUM ION, Nucleoprotein | | Authors: | Mamo, M. | | Deposit date: | 2025-05-27 | | Release date: | 2025-08-06 | | Last modified: | 2025-08-20 | | Method: | X-RAY DIFFRACTION (2.244 Å) | | Cite: | Discovery and Optimization of a Novel Series of Influenza A Virus Replication Inhibitors Targeting the Nucleoprotein Protein-Protein Interaction.
J.Med.Chem., 68, 2025
|
|
9V1K
 | | Cryo- EM structure of small subunit (head) of 75S ribosome with P- tRNA from Entamoeba histolytica | | Descriptor: | 17S rRNA, 40S ribosomal protein S10, putative, ... | | Authors: | Sharma, S, Mishra, S, Gourinath, S, Kaushal, P.S. | | Deposit date: | 2025-05-19 | | Release date: | 2025-10-08 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryo-EM structure of ribosome from pathogenic protozoa Entamoeba histolytica reveals unique features of its architecture.
Nat Commun, 16, 2025
|
|
9RJ5
 | | SARS-CoV-2 with a bound inhibitor | | Descriptor: | 1-(2-cyclohexylethyl)-3-cyclopropyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea, 3C-like proteinase nsp5 | | Authors: | Mac Sweeney, A. | | Deposit date: | 2025-06-12 | | Release date: | 2025-07-09 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | SARS-CoV-2 with a bound inhibitor
To Be Published
|
|
9R9K
 | | IRAK4 in complex with inhibitor | | Descriptor: | Interleukin-1 receptor-associated kinase 4, SULFATE ION, ~{N}-[3-aminocarbonyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(2-methylpyridin-4-yl)-1,3-oxazole-4-carboxamide | | Authors: | Xue, Y, Terstiege, I, Aagaard, A. | | Deposit date: | 2025-05-20 | | Release date: | 2025-10-01 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Generation of a potent & selective series of IRAK4 inhibitors based on a structure based, hybridization approach.
Bioorg.Med.Chem., 131, 2025
|
|
9QQ1
 | | KRAS-G12D(1-169) - GDP IN covalent COMPLEX with compound (3S,4R)-8 | | Descriptor: | (2~{S})-4-[(1~{R},5~{S})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-methyl-2-(oxan-4-ylmethyl)-4-oxidanylidene-butanoic acid, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | | Authors: | Ostermann, N. | | Deposit date: | 2025-03-31 | | Release date: | 2025-07-23 | | Last modified: | 2025-08-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Promise and Challenge of beta-Lactone Electrophiles to Target Aspartate 12 of Mutant KRAS G12D .
J.Med.Chem., 68, 2025
|
|
9RP9
 | |
9RM2
 | | BKPyV VP1 IN COMPLEX WITH 319C07-FAB | | Descriptor: | 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 319C07 antibody heavy chain, ... | | Authors: | Schmitt, S, Hillenbrand, M. | | Deposit date: | 2025-06-17 | | Release date: | 2025-07-09 | | Last modified: | 2025-07-30 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | A highly potent human antibody neutralizing all serotypes of BK polyomavirus.
Plos Pathog., 21, 2025
|
|
9QEM
 | | Crystal structure of YTHDF2 in complex with compound 3 (AI-DF2-11) | | Descriptor: | 5-[[(3-methoxyphenyl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, CHLORIDE ION, GLYCEROL, ... | | Authors: | Nai, F, Invernizzi, A, Caflisch, A. | | Deposit date: | 2025-03-10 | | Release date: | 2025-07-09 | | Last modified: | 2025-09-10 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Discovery of YTHDF2 Ligands by Fragment-Based Design.
Acs Bio Med Chem Au, 5, 2025
|
|
9YB6
 | | Human Mitochondrial Aspartate Aminotransferase complex with PLP at 1.5 Angstrom. | | Descriptor: | Aspartate aminotransferase, mitochondrial, CHLORIDE ION, ... | | Authors: | Krinkel, B.A, Yosaatmadja, Y, Squire, C.J, Loomes, K.M. | | Deposit date: | 2025-09-16 | | Release date: | 2025-09-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Human mitochondrial GOT2 crystal structure and...
To Be Published
|
|
9OJD
 | |
