8FYI
 
 | | Structure of HIV-1 BG505 SOSIP-HT1 in complex with one CD4 molecule | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(6-8)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Fan, C, Dam, K.A, Bjorkman, P.J. | | Deposit date: | 2023-01-26 | | Release date: | 2023-10-18 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Intermediate conformations of CD4-bound HIV-1 Env heterotrimers.
Nature, 623, 2023
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8FYJ
 | | Structure of HIV-1 BG505 SOSIP-HT2 in complex with two CD4 molecules (class I) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ... | | Authors: | Fan, C, Dam, K.A, Bjorkman, P.J. | | Deposit date: | 2023-01-26 | | Release date: | 2023-10-18 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Intermediate conformations of CD4-bound HIV-1 Env heterotrimers.
Nature, 623, 2023
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8I5W
 | | Crystal structure of the DHR-2 domain of DOCK10 in complex with Rac1 | | Descriptor: | Dedicator of cytokinesis protein 10, Ras-related C3 botulinum toxin substrate 1, SULFATE ION | | Authors: | Kukimoto-Niino, M, Mishima-Tsumagari, C, Ihara, K, Fukui, Y, Yokoyama, S, Shirouzu, M. | | Deposit date: | 2023-01-26 | | Release date: | 2023-03-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.432 Å) | | Cite: | Structural basis for the dual GTPase specificity of the DOCK10 guanine nucleotide exchange factor.
Biochem.Biophys.Res.Commun., 653, 2023
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8I5V
 | | DOCK10 mutant L1903Y complexed with Rac1 | | Descriptor: | Dedicator of cytokinesis protein 10, Ras-related C3 botulinum toxin substrate 1, SULFATE ION | | Authors: | Kukimoto-Niino, M, Mishima-Tsumagari, C, Ihara, K, Fukui, Y, Yokoyama, S, Shirouzu, M. | | Deposit date: | 2023-01-26 | | Release date: | 2023-03-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.726 Å) | | Cite: | Structural basis for the dual GTPase specificity of the DOCK10 guanine nucleotide exchange factor.
Biochem.Biophys.Res.Commun., 653, 2023
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8FYE
 | | 4-F, 5-MeO-PyrT-bound serotonin 1A (5-HT1A) receptor-Gi1 protein complex | | Descriptor: | 4-fluoro-5-methoxy-3-[2-(pyrrolidin-1-yl)ethyl]-1H-indole, CHOLESTEROL HEMISUCCINATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Warren, A.L, Zilberg, G, Capper, M.J, Wacker, D. | | Deposit date: | 2023-01-26 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Structural pharmacology and therapeutic potential of 5-methoxytryptamines.
Nature, 630, 2024
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8FYT
 | | LSD-bound serotonin 1A (5-HT1A) receptor-Gi1 protein complex | | Descriptor: | (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, CHOLESTEROL HEMISUCCINATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Warren, A.L, Zilberg, G, Capper, M.J, Wacker, D. | | Deposit date: | 2023-01-26 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.64 Å) | | Cite: | Structural pharmacology and therapeutic potential of 5-methoxytryptamines.
Nature, 630, 2024
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8FYL
 | | Vilazodone-bound serotonin 1A (5-HT1A) receptor-Gi1 protein complex | | Descriptor: | 5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide, CHOLESTEROL HEMISUCCINATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Warren, A.L, Zilberg, G, Capper, M.J, Wacker, D. | | Deposit date: | 2023-01-26 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.94 Å) | | Cite: | Structural pharmacology and therapeutic potential of 5-methoxytryptamines.
Nature, 630, 2024
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8FYX
 | | Buspirone-bound serotonin 1A (5-HT1A) receptor-Gi1 protein complex | | Descriptor: | Buspirone, CHOLESTEROL HEMISUCCINATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Warren, A.L, Zilberg, G, Capper, M.J, Wacker, D. | | Deposit date: | 2023-01-26 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.62 Å) | | Cite: | Structural pharmacology and therapeutic potential of 5-methoxytryptamines.
Nature, 630, 2024
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8CBH
 | | SHP2 in complex with a novel allosteric inhibitor | | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11, [(1~{S},6~{R},7~{S})-3-[3-[2,3-bis(chloranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyrazin-6-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine | | Authors: | di Fabio, R, Petrocchi, A. | | Deposit date: | 2023-01-25 | | Release date: | 2023-04-26 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Discovery of a Novel Series of Imidazopyrazine Derivatives as Potent SHP2 Allosteric Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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8FXQ
 | | The Crystal Sturucture of Rhizopuspepsin with a bound modified peptide inhibitor generated by de novo drug design. | | Descriptor: | ALA-CYS-VAL-LYS, CYCLOHEXANE, Rhizopuspepsin, ... | | Authors: | Satyshur, K.A, Rich, D.H, Ripka, A.S. | | Deposit date: | 2023-01-25 | | Release date: | 2023-02-08 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Aspartic protease inhibitors designed from computer-generated templates bind as predicted.
Org Lett, 3, 2001
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8I5F
 | | Crystal structure of the DHR-2 domain of DOCK10 in complex with Cdc42 (T17N mutant) | | Descriptor: | Cell division control protein 42 homolog, Dedicator of cytokinesis protein 10 | | Authors: | Kukimoto-Niino, M, Mishima-Tsumagari, C, Fukui, Y, Yokoyama, S, Shirouzu, M. | | Deposit date: | 2023-01-25 | | Release date: | 2023-03-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for the dual GTPase specificity of the DOCK10 guanine nucleotide exchange factor.
Biochem.Biophys.Res.Commun., 653, 2023
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8FY8
 | | 5-MeO-DMT-bound serotonin 1A (5-HT1A) receptor-Gi1 protein complex | | Descriptor: | 2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethan-1-amine, CHOLESTEROL HEMISUCCINATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Warren, A.L, Zilberg, G, Capper, M.J, Wacker, D. | | Deposit date: | 2023-01-25 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.79 Å) | | Cite: | Structural pharmacology and therapeutic potential of 5-methoxytryptamines.
Nature, 630, 2024
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8FXV
 | | Crystal structure of human proTGF-beta2 in complex with Nb18 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody clone 18, Transforming growth factor beta-2 proprotein | | Authors: | Le, V.Q, Springer, T.A. | | Deposit date: | 2023-01-25 | | Release date: | 2023-06-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A specialized integrin-binding motif enables proTGF-beta 2 activation by integrin alpha V beta 6 but not alpha V beta 8.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8CB1
 | | Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with N-PNT-DNM 15 | | Descriptor: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-(phenanthren-9-ylmethoxy)pentyl]piperidine-3,4,5-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Sulzenbacher, G, Roig-Zamboni, V, Overkleeft, H, Artola, M. | | Deposit date: | 2023-01-25 | | Release date: | 2023-09-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Fluorescence polarisation activity-based protein profiling for the identification of deoxynojirimycin-type inhibitors selective for lysosomal retaining alpha- and beta-glucosidases.
Chem Sci, 14, 2023
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8CB6
 | | Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in covalent complex with TAMRA tagged 1,6-Epi-cylcophellitol aziridine activity based probe | | Descriptor: | (1S,2R,3R,4R,5R)-5-[8-[4-(4-azanylbutyl)-1,2,3-triazol-1-yl]octylamino]-4-(hydroxymethyl)cyclohexane-1,2,3-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Sulzenbacher, G, Roig-Zamboni, V, Overkleeft, H, Artola, M. | | Deposit date: | 2023-01-25 | | Release date: | 2023-09-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Fluorescence polarisation activity-based protein profiling for the identification of deoxynojirimycin-type inhibitors selective for lysosomal retaining alpha- and beta-glucosidases.
Chem Sci, 14, 2023
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8FXS
 | | Crystal structure of human pro-TGF-beta2 in complex with Nb9 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody clone 9, Transforming growth factor beta-2 proprotein | | Authors: | Le, V.Q, Springer, T.A. | | Deposit date: | 2023-01-25 | | Release date: | 2023-06-21 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | A specialized integrin-binding motif enables proTGF-beta 2 activation by integrin alpha V beta 6 but not alpha V beta 8.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8CAH
 | | Cryo-EM structure of native Otu2-bound ubiquitinated 43S pre-initiation complex | | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, ... | | Authors: | Ikeuchi, K, Buschauer, R, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | | Deposit date: | 2023-01-24 | | Release date: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Molecular basis for recognition and deubiquitination of 40S ribosomes by Otu2.
Nat Commun, 14, 2023
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8CAS
 | | Cryo-EM structure of native Otu2-bound ubiquitinated 48S initiation complex (partial) | | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, ... | | Authors: | Ikeuchi, K, Buschauer, R, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | | Deposit date: | 2023-01-24 | | Release date: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Molecular basis for recognition and deubiquitination of 40S ribosomes by Otu2.
Nat Commun, 14, 2023
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8CAV
 | | Discovery of the lanthipeptide Curvocidin and structural insights into its trifunctional synthetase CuvL | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CuvA, MAGNESIUM ION, ... | | Authors: | Sigurdsson, A, Martins, B.M, Duettmann, S.A, Jasyk, M, Dimos-Roehl, B, Schoepf, F, Gemannter, M, Knittel, C.H, Schnegotyzki, R, Schmid, B, Kosol, S, Gonzalez-Viegas, M, Seidel, M, Huegelland, M, Leimkuehler, S, Dobbek, H, Mainz, A, Suessmuth, R. | | Deposit date: | 2023-01-24 | | Release date: | 2023-06-14 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Discovery of the Lanthipeptide Curvocidin and Structural Insights into its Trifunctional Synthetase CuvL.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8CAR
 | | Discovery of the lanthipeptide Curvocidin and structural insights into its trifunctional synthetase CuvL | | Descriptor: | NITRATE ION, PHOSPHATE ION, Serine/threonine protein kinase | | Authors: | Martins, B.M, Sigurdsson, A, Duettmann, A.A, Jasyk, M, Dimos-Roehl, B, Schoepf, F, Gemander, M, Knittel, C.H, Schegotzki, R, Schmid, B, Kosol, S, Pommerening, L, Gonzalez-Viegas, M, Seidel, M, Huegelland, M, Leimkuehler, S, Dobbek, H, Mainz, A, Suessmuth, R. | | Deposit date: | 2023-01-24 | | Release date: | 2023-06-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Discovery of the Lanthipeptide Curvocidin and Structural Insights into its Trifunctional Synthetase CuvL.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8C9M
 | | HERV-K Gag immature lattice | | Descriptor: | Gag protein | | Authors: | Krebs, A.-S, Liu, H.-F, Zhou, Y, Rey, J.S, Levintov, L, Perilla, J.R, Bartesaghi, A, Zhang, P. | | Deposit date: | 2023-01-23 | | Release date: | 2023-02-01 | | Last modified: | 2023-07-05 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Molecular architecture and conservation of an immature human endogenous retrovirus.
Biorxiv, 2023
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8C9I
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8FWS
 | | Structure of the ligand-binding and transmembrane domains of kainate receptor GluK2 in complex with the positive allosteric modulator BPAM344 | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gangwar, S.P, Yen, L.Y, Yelshanskaya, M.V, Sobolevsky, A.I. | | Deposit date: | 2023-01-23 | | Release date: | 2023-04-19 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Positive and negative allosteric modulation of GluK2 kainate receptors by BPAM344 and antiepileptic perampanel.
Cell Rep, 42, 2023
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8FWQ
 | | Structure of kainate receptor GluK2 in complex with the positive allosteric modulator BPAM344 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-cyclopropyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide, ... | | Authors: | Gangwar, S.P, Yen, L.Y, Yelshanskaya, M.V, Sobolevsky, A.I. | | Deposit date: | 2023-01-23 | | Release date: | 2023-04-19 | | Method: | ELECTRON MICROSCOPY (3.96 Å) | | Cite: | Positive and negative allosteric modulation of GluK2 kainate receptors by BPAM344 and antiepileptic perampanel.
Cell Rep, 42, 2023
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8FWW
 | | Structure of the ligand-binding and transmembrane domains of kainate receptor GluK2 in complex with the positive allosteric modulator BPAM344 and noncompetitive inhibitor perampanel | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gangwar, S.P, Yen, L.Y, Yelshanskaya, M.V, Sobolevsky, A.I. | | Deposit date: | 2023-01-23 | | Release date: | 2023-04-19 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Positive and negative allosteric modulation of GluK2 kainate receptors by BPAM344 and antiepileptic perampanel.
Cell Rep, 42, 2023
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