9FA6
 
 | | Gcase in complex with small molecule inhibitor 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosomal acid glucosylceramidase, ... | | Authors: | Tisi, D, Cleasby, A. | | Deposit date: | 2024-05-10 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase.
J.Med.Chem., 67, 2024
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9FDI
 | | Gcase in complex with small molecule inhibitor 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(phenylmethyl)piperidine, ... | | Authors: | Tisi, D, Cleasby, A. | | Deposit date: | 2024-05-17 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase.
J.Med.Chem., 67, 2024
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9FMM
 | | Structure of human ACE2 in complex with a fluorinated small molecule inhibitor | | Descriptor: | (2~{S})-2-[[(2~{S})-3-[3-[(3-chloranyl-5-fluoranyl-phenyl)methyl]imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Benoit, R.B, Rodrigues, M.J, Wieser, M.M. | | Deposit date: | 2024-06-06 | | Release date: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Development of radiofluorinated MLN-4760 derivatives for PET imaging of the SARS-CoV-2 entry receptor ACE2
European Journal of Nuclear Medicine and Molecular Imaging, 2024
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9F7W
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9FYP
 | | Cryo EM structure of the type 3B polymorph of alpha-synuclein at low pH. | | Descriptor: | Alpha-synuclein, CHLORIDE ION | | Authors: | Frey, L, Qureshi, B.M, Kwiatkowski, W, Rhyner, D, Greenwald, J, Riek, R. | | Deposit date: | 2024-07-03 | | Release date: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.23 Å) | | Cite: | On the pH-dependence of alpha-synuclein amyloid polymorphism and the role of secondary nucleation in seed-based amyloid propagation
Elife, 2024
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8Y46
 | | Crystal structure of L-2-keto-3-deoxyfuconate 4-dehydrogenase bound to L-KDF or L-2,4-DKDF | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, L-2,4-diketo-3-deoxyfuconate, ... | | Authors: | Akagashi, M, Watanabe, S. | | Deposit date: | 2024-01-30 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Crystal structure of L-2-keto-3-deoxyfuconate 4-dehydrogenase reveals a unique binding mode as a alpha-furanosyl hemiketal of substrates.
Sci Rep, 14, 2024
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9FLA
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9IK2
 | | The co-crystal structure of SARS-CoV-2 Mpro in complex with compound H109 | | Descriptor: | 3C-like proteinase, tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-azanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | | Authors: | Feng, Y, Zheng, W.Y, Han, P, Fu, L.F, Qi, J.X. | | Deposit date: | 2024-06-26 | | Release date: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-guided discovery of a small molecule inhibitor of SARS-CoV-2 main protease with potent in vitro and in vivo antiviral activities
To Be Published
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7OCA
 | | Resting state full-length GluA1/A2 heterotertramer in complex with TARP gamma 8 and CNIH2 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhang, D, Watson, J.F, Matthews, P.M, Cais, O, Greger, I.H. | | Deposit date: | 2021-04-26 | | Release date: | 2021-06-09 | | Last modified: | 2021-06-30 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Gating and modulation of a hetero-octameric AMPA glutamate receptor.
Nature, 594, 2021
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7OCC
 | | NTD of resting state GluA1/A2 heterotertramer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 1, ... | | Authors: | Zhang, D, Watson, J.F, Matthews, P.M, Cais, O, Greger, I.H. | | Deposit date: | 2021-04-26 | | Release date: | 2021-06-09 | | Last modified: | 2021-06-30 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Gating and modulation of a hetero-octameric AMPA glutamate receptor.
Nature, 594, 2021
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9IQ9
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7OG4
 | | Human mitochondrial ribosome in complex with P/E-tRNA | | Descriptor: | 12S mitochondrial rRNA, 16S mitochondrial rRNA, 28S ribosomal protein S10, ... | | Authors: | Aibara, S, Singh, V, Modelska, A, Amunts, A. | | Deposit date: | 2021-05-06 | | Release date: | 2021-06-23 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural basis of mitochondrial translation.
Elife, 9, 2020
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7NRH
 | | Hantaan virus glycoprotein (Gn) in complex with Fab fragment HTN-Gn1. | | Descriptor: | Envelope polyprotein, Fab fragment HTN-Gn1 Heavy chain, Fab fragment HTN-Gn1 Light chain, ... | | Authors: | Stass, R, Rissanen, I, Bowden, T.A, Huiskonen, J.T. | | Deposit date: | 2021-03-03 | | Release date: | 2021-06-23 | | Last modified: | 2021-09-15 | | Method: | ELECTRON MICROSCOPY (19 Å) | | Cite: | Structural Basis for a Neutralizing Antibody Response Elicited by a Recombinant Hantaan Virus Gn Immunogen.
Mbio, 12, 2021
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7O31
 | | Crystal structure of the anti-PAS Fab 1.2 in complex with its epitope peptide and the anti-Kappa VHH domain | | Descriptor: | 1,2-ETHANEDIOL, PAS#1 epitope peptide, anti-Kappa VHH domain, ... | | Authors: | Schilz, J, Schiefner, A, Skerra, A. | | Deposit date: | 2021-04-01 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Molecular recognition of structurally disordered Pro/Ala-rich sequences (PAS) by antibodies involves an Ala residue at the hot spot of the epitope.
J.Mol.Biol., 433, 2021
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7O30
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7O2Z
 | | Crystal structure of the anti-PAS Fab 2.2 in complex with its epitope peptide | | Descriptor: | CHLORIDE ION, P/A#1 epitope peptide, anti-PAS Fab 2.2 chimeric heavy chain, ... | | Authors: | Schilz, J, Schiefner, A, Skerra, A. | | Deposit date: | 2021-04-01 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Molecular recognition of structurally disordered Pro/Ala-rich sequences (PAS) by antibodies involves an Ala residue at the hot spot of the epitope.
J.Mol.Biol., 433, 2021
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7O33
 | | Crystal structure of the anti-PAS Fab 3.1 in complex with its epitope peptide | | Descriptor: | APSA epitope peptide, anti-PAS Fab 3.1 chimeric heavy chain, anti-PAS Fab 3.1 chimeric light chain | | Authors: | Schilz, J, Skerra, A. | | Deposit date: | 2021-04-01 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Molecular recognition of structurally disordered Pro/Ala-rich sequences (PAS) by antibodies involves an Ala residue at the hot spot of the epitope.
J.Mol.Biol., 433, 2021
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9BDP
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8ZGU
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8ZSV
 | | Cryo-EM structure of the RO5263397-bound mTAAR1-Gs complex | | Descriptor: | (4~{S})-4-(3-fluoranyl-2-methyl-phenyl)-1,3-oxazolidin-2-amine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Jiang, K.X, Zheng, Y, Xu, F. | | Deposit date: | 2024-06-05 | | Release date: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | The versatile binding landscape of the TAAR1 pocket for LSD and other antipsychotic drug molecules.
Cell Rep, 43, 2024
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9GAA
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9BIS
 | | Cryo-EM structure of the mammalian peptide transporter PepT2 bound to amoxicillin | | Descriptor: | 2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, Solute carrier family 15 member 2, nanobody | | Authors: | Parker, J.L, Deme, J.C, Lea, S.M, Newstead, S. | | Deposit date: | 2024-04-24 | | Release date: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis for antibiotic transport and inhibition in the mammalian proton-coupled peptide transporter, PepT2
To Be Published
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9FFG
 | | Empty capsid of Rhodobacter microvirus Ebor computed with I4 symmetry | | Descriptor: | Major capsid protein | | Authors: | Bardy, P, MacDonald, C.I.W, Jenkins, H.T, Byrom, L, Chechik, M, Hart, S.J, Turkenburg, J.P, Blaza, J.N, Fogg, P.C.M, Antson, A.A. | | Deposit date: | 2024-05-23 | | Release date: | 2024-06-12 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | A stargate mechanism of Microviridae genome delivery unveiled by cryogenic electron tomography.
Biorxiv, 2024
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9FFH
 | | Native capsid of Rhodobacter microvirus Ebor computed with I4 symmetry | | Descriptor: | Major capsid protein | | Authors: | Bardy, P, MacDonald, C.I.W, Jenkins, H.T, Chechik, M, Hart, S.J, Turkenburg, J.P, Blaza, J.N, Fogg, P.C.M, Antson, A.A. | | Deposit date: | 2024-05-23 | | Release date: | 2024-06-12 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | A stargate mechanism of Microviridae genome delivery unveiled by cryogenic electron tomography.
Biorxiv, 2024
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8ZCJ
 | | Cryo-EM structure of the pasireotide-bound SSTR5-Gi complex | | Descriptor: | 004-DTR-LYS-TYR-PHA-HYP, Beta-2 adrenergic receptor,Somatostatin receptor type 5,lgbit (fusion protein), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Li, Y.G, Meng, X.Y, Yang, X.R, Ling, S.L, Shi, P, Tian, C.L, Yang, F. | | Deposit date: | 2024-04-29 | | Release date: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.09 Å) | | Cite: | Structural insights into somatostatin receptor 5 bound with cyclic peptides.
Acta Pharmacol.Sin., 2024
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