8QUU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8quu by Molmil](/molmil-images/mine/8quu) | Crystal structure of chlorite dismutase at 3000 eV based on spherical harmonics absorption corrections | Descriptor: | CHLORIDE ION, Chlorite Dismutase, GLYCEROL, ... | Authors: | Duman, R, Wagner, A, Kamps, J, Orville, A. | Deposit date: | 2023-10-17 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Ray-tracing analytical absorption correction for X-ray crystallography based on tomographic reconstructions. J.Appl.Crystallogr., 57, 2024
|
|
8QUG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qug by Molmil](/molmil-images/mine/8qug) | KRAS-G12C in Complex with Compound 1 | Descriptor: | (4S)-2-azanyl-4-methyl-4-[3-[2-[(2S)-2-methyl-1,4-diazepan-1-yl]pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Fischer, G, Kratochvil, B. | Deposit date: | 2023-10-16 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Targeting cancer with small molecule pan-KRAS degraders Biorxiv, 2023
|
|
8QUD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qud by Molmil](/molmil-images/mine/8qud) | Cryo-EM Structure of Human Kv3.1 in Complex with Modulator AUT5 | Descriptor: | (5R)-5-ethyl-3-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridin-3-yl)imidazolidine-2,4-dione, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Chi, G, Mckinley, G, Marsden, B, Pike, A.C.W, Ye, M, Brooke, L.M, Bakshi, S, Lakshminarayana, B, Pilati, N, Marasco, A, Gunthorpe, M, Alvaro, G.S, Large, C.H, Williams, E, Sauer, D.B. | Deposit date: | 2023-10-16 | Release date: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | The binding and mechanism of a positive allosteric modulator of Kv3 channels. Nat Commun, 15, 2024
|
|
8QUA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qua by Molmil](/molmil-images/mine/8qua) | GTP binding protein YsxC from Staphylococcus aureus | Descriptor: | ACETYL GROUP, GLYCEROL, Probable GTP-binding protein EngB | Authors: | Biktimirov, A, Islamov, D, Lazarenko, V, Fatkhullin, B, Validov, S, Yusupov, M, Usachev, K. | Deposit date: | 2023-10-15 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of GTPase YsxC from Staphylococcus aureus. Biochem.Biophys.Res.Commun., 699, 2024
|
|
8QU8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qu8 by Molmil](/molmil-images/mine/8qu8) | PROTAC-mediated complex of KRAS with VHL/Elongin-B/Elongin-C/Cullin-2/Rbx1 | Descriptor: | (2S,4R)-1-[(2S)-2-[4-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2,3-triazol-1-yl]-3-methyl-butanoyl]-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxidanyl-ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Cullin-2, E3 ubiquitin-protein ligase RBX1, ... | Authors: | Fischer, G, Peter, D, Arce-Solano, S. | Deposit date: | 2023-10-14 | Release date: | 2023-12-06 | Last modified: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Targeting cancer with small molecule pan-KRAS degraders Biorxiv, 2023
|
|
8QU5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qu5 by Molmil](/molmil-images/mine/8qu5) | mt-LSU assembly intermediate in GTPBP8 knock-out cells, state 2 | Descriptor: | 16S ribosomal RNA, 39S ribosomal protein L10, mitochondrial, ... | Authors: | Valentin Gese, G, Cipullo, M, Rorbach, J, Hallberg, B.M. | Deposit date: | 2023-10-13 | Release date: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (2.42 Å) | Cite: | GTPBP8 plays a role in mitoribosome formation in human mitochondria Nat Commun, 2024
|
|
8QU4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qu4 by Molmil](/molmil-images/mine/8qu4) | NF-YB/C Heterodimer in Complex with a 13-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker in an alternative binding pose | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Nuclear transcription factor Y subunit alpha, ... | Authors: | Arbore, F, Durukan, C, Klintrot, C.I.R, Grossmann, T.N, Hennig, S. | Deposit date: | 2023-10-13 | Release date: | 2024-03-20 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF-Y. Chembiochem, 25, 2024
|
|
8QU3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qu3 by Molmil](/molmil-images/mine/8qu3) | NF-YB/C Heterodimer in Complex with a 13-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, Nuclear transcription factor Y subunit alpha, ... | Authors: | Arbore, F, Durukan, C, Klintrot, C.I.R, Grossmann, T.N, Hennig, S. | Deposit date: | 2023-10-13 | Release date: | 2024-03-20 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF-Y. Chembiochem, 25, 2024
|
|
8QU2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qu2 by Molmil](/molmil-images/mine/8qu2) | NF-YB/C Heterodimer in Complex with a 16-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, ... | Authors: | Durukan, C, Arbore, F, Klintrot, C.I.R, Grossmann, T.N, Hennig, S. | Deposit date: | 2023-10-13 | Release date: | 2024-03-20 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF-Y. Chembiochem, 25, 2024
|
|
8QTL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qtl by Molmil](/molmil-images/mine/8qtl) | Aplysia californica acetylcholine-binding protein in complex with Spiroimine (-)-4 S | Descriptor: | CHLORIDE ION, ISOPROPYL ALCOHOL, Soluble acetylcholine receptor, ... | Authors: | Sulzenbacher, G, Bourne, Y, Marchot, P. | Deposit date: | 2023-10-12 | Release date: | 2024-04-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The Cyclic Imine Core Common to the Marine Macrocyclic Toxins Is Sufficient to Dictate Nicotinic Acetylcholine Receptor Antagonism. Mar Drugs, 22, 2024
|
|
8QTK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qtk by Molmil](/molmil-images/mine/8qtk) | Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 31) | Descriptor: | 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | Authors: | Schimpl, M. | Deposit date: | 2023-10-12 | Release date: | 2024-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.873 Å) | Cite: | Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors. J.Med.Chem., 67, 2024
|
|
8QTJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qtj by Molmil](/molmil-images/mine/8qtj) | Crystal structure of Cbl-b in complex with an allosteric inhibitor (compound 30) | Descriptor: | 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1~{R})-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | Authors: | Schimpl, M. | Deposit date: | 2023-10-12 | Release date: | 2024-01-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.523 Å) | Cite: | Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors. J.Med.Chem., 67, 2024
|
|
8QTH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qth by Molmil](/molmil-images/mine/8qth) | Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 8) | Descriptor: | 1-methyl-5-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-(trifluoromethyl)-7H-pyrrolo[2,3-b]pyridin-6-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | Authors: | Schimpl, M. | Deposit date: | 2023-10-12 | Release date: | 2024-01-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.198 Å) | Cite: | Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors. J.Med.Chem., 67, 2024
|
|
8QTG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qtg by Molmil](/molmil-images/mine/8qtg) | Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 9) | Descriptor: | 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)-1~{H}-pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | Authors: | Schimpl, M. | Deposit date: | 2023-10-12 | Release date: | 2024-01-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.419 Å) | Cite: | Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors. J.Med.Chem., 67, 2024
|
|
8QTD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qtd by Molmil](/molmil-images/mine/8qtd) | Local refinement of SARS-CoV-2 BA.2.86 Spike and XBB-7 Fab | Descriptor: | Spike glycoprotein,Fibritin, XBB-7 fab heavy chain, XBB-7 fab light chain | Authors: | Ren, J, Duyvesteyn, H.M.E, Stuart, D.I. | Deposit date: | 2023-10-12 | Release date: | 2024-05-08 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity. Cell Rep Med, 5, 2024
|
|
8QSQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qsq by Molmil](/molmil-images/mine/8qsq) | |
8QSJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qsj by Molmil](/molmil-images/mine/8qsj) | Human mitoribosomal large subunit assembly intermediate 2 with GTPBP7 | Descriptor: | 16S rRNA, 39S ribosomal protein L10, mitochondrial, ... | Authors: | Ritter, C, Nguyen, T.G, Kummer, E. | Deposit date: | 2023-10-10 | Release date: | 2023-12-13 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural insights into the role of GTPBP10 in the RNA maturation of the mitoribosome. Nat Commun, 14, 2023
|
|
8QS0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qs0 by Molmil](/molmil-images/mine/8qs0) | |
8QRX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qrx by Molmil](/molmil-images/mine/8qrx) | |
8QRT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qrt by Molmil](/molmil-images/mine/8qrt) | |
8QRH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qrh by Molmil](/molmil-images/mine/8qrh) | Inactivated tick-borne encephalitis virus (TBEV) vaccine strain Sofjin-Chumakov | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein, Small envelope protein M | Authors: | Moiseenko, A.V, Zhang, Y, Vorovitch, M, Ivanova, A, Liu, Z, Osolodkin, D.I, Egorov, A, Ishmukhametov, A, Sokolova, O.S. | Deposit date: | 2023-10-07 | Release date: | 2024-06-05 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | The structure of inactivated mature tick-borne encephalitis virus at 3.0 angstrom resolution. Emerg Microbes Infect, 13, 2024
|
|
8QRG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qrg by Molmil](/molmil-images/mine/8qrg) | SARS-CoV-2 delta RBD complexed with XBB-2 Fab and NbC1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, NbC1, ... | Authors: | Zhou, D, Ren, J, Stuart, D.I. | Deposit date: | 2023-10-07 | Release date: | 2024-05-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity. Cell Rep Med, 5, 2024
|
|
8QRF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qrf by Molmil](/molmil-images/mine/8qrf) | SARS-CoV-2 delta RBD complexed with XBB-6 and beta-49 Fabs | Descriptor: | Beta-49 heavy chain, Beta-49 light chain, Spike protein S1, ... | Authors: | Zhou, D, Ren, J, Stuart, D.I. | Deposit date: | 2023-10-06 | Release date: | 2024-05-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity. Cell Rep Med, 5, 2024
|
|
8QRE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qre by Molmil](/molmil-images/mine/8qre) | Cholera holotoxin (wildtype) | Descriptor: | ACETATE ION, Cholera enterotoxin subunit A, Cholera enterotoxin subunit B, ... | Authors: | Mojica, N, Cordara, G, Krengel, U. | Deposit date: | 2023-10-06 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Using Vibrio natriegens for High-Yield Production of Challenging Expression Targets and for Protein Perdeuteration. Biochemistry, 63, 2024
|
|
8QQG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qqg by Molmil](/molmil-images/mine/8qqg) | Structure of BRAF in Complex With Exarafenib (KIN-2787). | Descriptor: | (3~{S})-~{N}-[4-methyl-3-[2-morpholin-4-yl-6-[[(2~{R})-1-oxidanylpropan-2-yl]amino]pyridin-4-yl]phenyl]-3-[2,2,2-tris(fluoranyl)ethyl]pyrrolidine-1-carboxamide, CHLORIDE ION, Serine/threonine-protein kinase B-raf | Authors: | Schmitt, A, Costanzi, E, Kania, R, Chen, Y.K. | Deposit date: | 2023-10-04 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.979 Å) | Cite: | Structure of BRAF in Complex With Exarafenib (KIN-2787). To Be Published
|
|