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
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8QVU
 | | Crystal Structure of ligand ACBI3 in complex with KRAS G12D C118S GDP and pVHL:ElonginC:ElonginB complex | | 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, Elongin-B, Elongin-C, ... | | Authors: | Wijaya, A.J, Zollman, D, Farnaby, W, Ciulli, A. | | Deposit date: | 2023-10-18 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Targeting cancer with small molecule pan-KRAS degraders
Biorxiv, 2023
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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
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8QW6
 | | Crystal Structure of compound 3 in complex with KRAS G12V C118S GDP and pVHL:ElonginC:ElonginB | | Descriptor: | (2S,4R)-1-[(2S)-2-[6-[(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]hexanoylamino]-3,3-dimethyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | Authors: | Zollman, D, Farnaby, W, Ciulli, A. | | Deposit date: | 2023-10-18 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Targeting cancer with small molecule pan-KRAS degraders
Biorxiv, 2023
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7K9Z
 | | Crystal structure of SARS-CoV-2 receptor binding domain in complex with the Fab fragments of neutralizing antibodies 298 and 52 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 298 Fab Heavy Chain, 298 Fab Light Chain, ... | | Authors: | Newton, J.C, Kucharska, I, Rujas, E, Cui, H, Julien, J.P. | | Deposit date: | 2020-09-29 | | Release date: | 2020-10-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Multivalency transforms SARS-CoV-2 antibodies into ultrapotent neutralizers.
Nat Commun, 12, 2021
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7YMJ
 | | Cryo-EM structure of alpha1AAR-Nb6 complex bound to tamsulosin | | Descriptor: | Nb6, Tamsulosin, alpha1A-adrenergic receptor | | Authors: | Toyoda, Y, Zhu, A, Yan, C, Kobilka, B.K, Liu, X. | | Deposit date: | 2022-07-28 | | Release date: | 2023-07-05 | | Method: | ELECTRON MICROSCOPY (3.35 Å) | | Cite: | Structural basis of alpha 1A -adrenergic receptor activation and recognition by an extracellular nanobody.
Nat Commun, 14, 2023
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7YMH
 | | Cryo-EM structure of Nb29-alpha1AAR-miniGsq complex bound to noradrenaline | | Descriptor: | Nb29, Noradrenaline, alpha1A-adrenergic receptor, ... | | Authors: | Toyoda, Y, Zhu, A, Yan, C, Kobilka, B.K, Liu, X. | | Deposit date: | 2022-07-28 | | Release date: | 2023-07-05 | | Method: | ELECTRON MICROSCOPY (3.52 Å) | | Cite: | Structural basis of alpha 1A -adrenergic receptor activation and recognition by an extracellular nanobody.
Nat Commun, 14, 2023
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7YSX
 | | Crystal structure of PDE4D complexed with licoisoflavone A | | Descriptor: | 1,2-ETHANEDIOL, 3-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ... | | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | | Deposit date: | 2022-08-13 | | Release date: | 2023-07-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Bioactive compounds from Huashi Baidu decoction possess both antiviral and anti-inflammatory effects against COVID-19.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7YM8
 | | Cryo-EM structure of Nb29-alpha1AAR-miniGsq complex bound to oxymetazoline | | Descriptor: | CHOLESTEROL HEMISUCCINATE, Oxymetazoline, alpha1A adrenergic receptor, ... | | Authors: | Toyoda, Y, Zhu, A, Yan, C, Kobilka, B.K, Liu, X. | | Deposit date: | 2022-07-27 | | Release date: | 2023-07-05 | | Method: | ELECTRON MICROSCOPY (2.92 Å) | | Cite: | Structural basis of alpha 1A -adrenergic receptor activation and recognition by an extracellular nanobody.
Nat Commun, 14, 2023
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7YQF
 | | Crystal structure of PDE4D complexed with glycyrrhisoflavone | | Descriptor: | 1,2-ETHANEDIOL, 3-[3-(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ... | | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | | Deposit date: | 2022-08-06 | | Release date: | 2023-07-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Bioactive compounds from Huashi Baidu decoction possess both antiviral and anti-inflammatory effects against COVID-19.
Proc.Natl.Acad.Sci.USA, 120, 2023
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5WQD
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5TRF
 | | MDM2 in complex with SAR405838 | | Descriptor: | (2'S,3R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ... | | Authors: | Meagher, J.L, Stuckey, J.A. | | Deposit date: | 2016-10-26 | | Release date: | 2016-11-09 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | SAR405838: an optimized inhibitor of MDM2-p53 interaction that induces complete and durable tumor regression.
Cancer Res., 74, 2014
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8FFE
 | | Crystal structure of LRP6 E1E2 domains bound to YW210.09 Fab and engineered XWnt8 peptide | | Descriptor: | GLYCEROL, Low-density lipoprotein receptor-related protein 6, SODIUM ION, ... | | Authors: | Jude, K.M, Tsutsumi, N, Waghray, D, Garcia, K.C. | | Deposit date: | 2022-12-08 | | Release date: | 2023-03-08 | | Last modified: | 2023-03-22 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structure of the Wnt-Frizzled-LRP6 initiation complex reveals the basis for coreceptor discrimination.
Proc.Natl.Acad.Sci.USA, 120, 2023
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6T9M
 | | Crystal structure of the Chitinase Domain of the Spore Coat Protein CotE from Clostridium difficile | | Descriptor: | DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, Peptide in active site, ... | | Authors: | Whittingham, J.L, Dodson, E.J, Wilkinson, A.J. | | Deposit date: | 2019-10-28 | | Release date: | 2020-07-22 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structures of the GH18 domain of the bifunctional peroxiredoxin-chitinase CotE from Clostridium difficile.
Acta Crystallogr.,Sect.F, 76, 2020
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5BK8
 | | Cancer-associated SHP2/T507K mutant | | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Yu, Z.H, Zhang, R.Y, Zhang, Z.Y. | | Deposit date: | 2019-06-01 | | Release date: | 2020-04-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Mechanistic insights explain the transforming potential of the T507K substitution in the protein-tyrosine phosphatase SHP2.
J.Biol.Chem., 295, 2020
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5UIX
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7ZOX
 | | Nup93 in complex with xhNup93-Nb4i and xNup93-Nb2t | | Descriptor: | Nuclear pore complex protein Nup93, xNup93-Nb2t, xhNup93-Nb4i | | Authors: | Fu, Z, Guttler, T, Colom, M.S. | | Deposit date: | 2022-04-26 | | Release date: | 2023-11-08 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | A checkpoint function for Nup98 in nuclear pore formation suggested by novel inhibitory nanobodies.
Embo J., 2024
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8FGX
 | | Cryo-EM structure of the STAR-0215 Fab in complex with active human plasma kallikrein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Plasma kallikrein light chain, STAR-0215 Heavy chain, ... | | Authors: | Fuller, J.R, Biris, N, Bista, P. | | Deposit date: | 2022-12-13 | | Release date: | 2023-09-06 | | Last modified: | 2023-10-25 | | Method: | ELECTRON MICROSCOPY (2.62 Å) | | Cite: | STAR-0215 is a Novel, Long-Acting Monoclonal Antibody Inhibitor of Plasma Kallikrein for the Potential Treatment of Hereditary Angioedema.
J.Pharmacol.Exp.Ther., 387, 2023
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7W75
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7W76
 | | Crystal structure of the K. lactis Bre1 RBD in complex with Rad6, crystal form II | | Descriptor: | E3 ubiquitin-protein ligase BRE1, GLYCEROL, SULFATE ION, ... | | Authors: | Shi, M, Zhao, J, Xiang, S. | | Deposit date: | 2021-12-03 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Structural basis for the Rad6 activation by the Bre1 N-terminal domain.
Elife, 12, 2023
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8J2F
 | | Human neutral shpingomyelinase | | Descriptor: | HEPTANE, MAGNESIUM ION, Sphingomyelin phosphodiesterase 2, ... | | Authors: | Zhang, S.S. | | Deposit date: | 2023-04-14 | | Release date: | 2023-12-06 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | Molecular basis for the catalytic mechanism of human neutral sphingomyelinases 1 (hSMPD2).
Nat Commun, 14, 2023
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7LGD
 | | HLA-B*07:02 in complex with SARS-CoV-2 nucleocapsid peptide N105-113 | | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, HLA class I histocompatibility antigen, ... | | Authors: | Gras, S, Szeto, C, Chatzileontiadou, D.S.M. | | Deposit date: | 2021-01-20 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | CD8 + T cells specific for an immunodominant SARS-CoV-2 nucleocapsid epitope cross-react with selective seasonal coronaviruses.
Immunity, 54, 2021
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7LGT
 | | HLA-B*07:02 in complex with 229E-derived coronavirus nucleocapsid peptide N75-83 | | Descriptor: | BROMIDE ION, Beta-2-microglobulin, CHLORIDE ION, ... | | Authors: | Gras, S, Szeto, C, Chatzileontiadou, D.S.M. | | Deposit date: | 2021-01-21 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | CD8 + T cells specific for an immunodominant SARS-CoV-2 nucleocapsid epitope cross-react with selective seasonal coronaviruses.
Immunity, 54, 2021
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7CM9
 | | DMSP lyase DddX | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DMSP lyase, SULFATE ION | | Authors: | Li, C.Y, Zhang, Y.Z. | | Deposit date: | 2020-07-25 | | Release date: | 2021-05-19 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.249 Å) | | Cite: | A novel ATP dependent dimethylsulfoniopropionate lyase in bacteria that releases dimethyl sulfide and acryloyl-CoA.
Elife, 10, 2021
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8T1Y
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