4V4B
| Structure of the ribosomal 80S-eEF2-sordarin complex from yeast obtained by docking atomic models for RNA and protein components into a 11.7 A cryo-EM map. | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S11, ... | Authors: | Spahn, C.M, Gomez-Lorenzo, M.G, Grassucci, R.A, Jorgensen, R, Andersen, G.R, Beckmann, R, Penczek, P.A, Ballesta, J.P.G, Frank, J. | Deposit date: | 2004-01-06 | Release date: | 2014-07-09 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (11.7 Å) | Cite: | Domain movements of elongation factor eEF2 and the eukaryotic 80S ribosome facilitate tRNA translocation. Embo J., 23, 2004
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1P9Y
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1OMS
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1GO0
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1GO1
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1H7M
| Ribosomal Protein L30e from Thermococcus celer | Descriptor: | 50S RIBOSOMAL PROTEIN L30E | Authors: | Chen, Y.W, Wong, K.B. | Deposit date: | 2001-07-09 | Release date: | 2003-04-04 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Crystal Structure of Ribosomal Protein L30E from the Extreme Thermophile Thermocccus Celer: Thermal Stability and RNA Binding Biochemistry, 42, 2003
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2R0H
| Fungal lectin CGL3 in complex with chitotriose (chitotetraose) | Descriptor: | 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, CGL3 lectin | Authors: | Waelti, M.A, Walser, P.J, Thore, S, Gruenler, A, Ban, N, Kuenzler, M, Aebi, M. | Deposit date: | 2007-08-20 | Release date: | 2008-05-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Basis for Chitotetraose Coordination by CGL3, a Novel Galectin-Related Protein from Coprinopsis cinerea J.Mol.Biol., 379, 2008
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2R0F
| Ligand free structure of fungal lectin CGL3 | Descriptor: | CGL3 lectin | Authors: | Waelti, M.A, Walser, P.J, Thore, S, Gruenler, A, Ban, N, Kuenzler, M, Aebi, M. | Deposit date: | 2007-08-19 | Release date: | 2008-05-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for Chitotetraose Coordination by CGL3, a Novel Galectin-Related Protein from Coprinopsis cinerea J.Mol.Biol., 379, 2008
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1JJ2
| Fully Refined Crystal Structure of the Haloarcula marismortui Large Ribosomal Subunit at 2.4 Angstrom Resolution | Descriptor: | 23S RRNA, 5S RRNA, CADMIUM ION, ... | Authors: | Klein, D.J, Schmeing, T.M, Moore, P.B, Steitz, T.A. | Deposit date: | 2001-07-03 | Release date: | 2001-08-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The kink-turn: a new RNA secondary structure motif. EMBO J., 20, 2001
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8UAB
| SARS-CoV-2 main protease (Mpro) complex with AC1115 | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide | Authors: | DuPrez, K.T, Chao, A, Han, F.Q. | Deposit date: | 2023-09-20 | Release date: | 2024-02-07 | Last modified: | 2024-10-02 | Method: | X-RAY DIFFRACTION (1.781 Å) | Cite: | Olgotrelvir, a dual inhibitor of SARS-CoV-2 M pro and cathepsin L, as a standalone antiviral oral intervention candidate for COVID-19 Med, 5, 2024
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8UAC
| CATHEPSIN L IN COMPLEX WITH AC1115 | Descriptor: | Cathepsin L, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide | Authors: | Chao, A, DuPrez, K.T, Han, F.Q. | Deposit date: | 2023-09-20 | Release date: | 2024-02-07 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Olgotrelvir, a dual inhibitor of SARS-CoV-2 M pro and cathepsin L, as a standalone antiviral oral intervention candidate for COVID-19. Med, 5, 2024
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4WYJ
| Adenovirus 3 head domain mutant V239D | Descriptor: | Fiber protein, SULFATE ION | Authors: | Lieber, A, Zubieta, C, Fender, P. | Deposit date: | 2014-11-17 | Release date: | 2015-07-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Preclinical safety and efficacy studies with an affinity-enhanced epithelial junction opener and PEGylated liposomal doxorubicin. Mol Ther Methods Clin Dev, 2, 2015
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6TYY
| Hedgehog autoprocessing mutant D46H | Descriptor: | Protein hedgehog | Authors: | Li, H, Li, Z, Wang, C, Callahan, B.P. | Deposit date: | 2019-08-09 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | General Base Swap Preserves Activity and Expands Substrate Tolerance in Hedgehog Autoprocessing. J.Am.Chem.Soc., 141, 2019
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4E6P
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8U2E
| Bruton's tyrosine kinase in complex with N-[(2R)-1-[(3R)-3-(methylcarbamoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide | Descriptor: | (2S)-6-fluoro-5-[(3S)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-(4-methylpiperazine-1-carbonyl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Gajewski, S, Clifton, M.C. | Deposit date: | 2023-09-05 | Release date: | 2024-01-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and Preclinical Pharmacology of NX-2127, an Orally Bioavailable Degrader of Bruton's Tyrosine Kinase with Immunomodulatory Activity for the Treatment of Patients with B Cell Malignancies. J.Med.Chem., 67, 2024
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8U2D
| Bruton's tyrosine kinase in complex with N-[(2R)-1-[(3R)-3-(methylcarbamoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide | Descriptor: | (3R)-2-[N-(1H-indazole-5-carbonyl)-3-methyl-D-phenylalanyl]-N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Gajewski, S, Clifton, M.C. | Deposit date: | 2023-09-05 | Release date: | 2024-01-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery and Preclinical Pharmacology of NX-2127, an Orally Bioavailable Degrader of Bruton's Tyrosine Kinase with Immunomodulatory Activity for the Treatment of Patients with B Cell Malignancies. J.Med.Chem., 67, 2024
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8W31
| Crystal structure of parkin (R0RB):2pUb with activator compound | Descriptor: | (S)-1-(6-benzyl-3-(4-(1,2,3,4-tetrahydroquinoline-1-carbonyl)phenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl)ethan-1-one, E3 ubiquitin-protein ligase parkin, GLYCEROL, ... | Authors: | Sauve, V, Gehring, K. | Deposit date: | 2024-02-21 | Release date: | 2024-08-21 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Activation of parkin by a molecular glue. Nat Commun, 15, 2024
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1SKM
| HhaI methyltransferase in complex with DNA containing an abasic south carbocyclic sugar at its target site | Descriptor: | 5'-D(*T*GP*TP*CP*AP*GP*(HCX)P*GP*CP*AP*TP*GP*G)-3', 5'-D(*TP*CP*CP*AP*TP*GP*CP*GP*CP*TP*GP*AP*C)-3', Modification methylase HhaI, ... | Authors: | Horton, J.R, Ratner, G, Banavali, N, Huang, N, Marquez, V.E, MacKerell, A.D, Cheng, X. | Deposit date: | 2004-03-05 | Release date: | 2004-08-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Caught in the act: visualization of an intermediate in the DNA base-flipping pathway induced by HhaI methyltransferase Nucleic Acids Res., 32, 2004
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6WJY
| HUMAN IDO1 IN COMPLEX WITH COMPOUND 4-A | Descriptor: | 3-chloro-N-(3-{(2S)-1-[(4-fluorophenyl)amino]-1-oxopropan-2-yl}bicyclo[1.1.1]pentan-1-yl)benzamide, Indoleamine 2,3-dioxygenase 1 | Authors: | Lesburg, C.A, Lammens, A, Neumann, L. | Deposit date: | 2020-04-14 | Release date: | 2020-08-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Discovery of Potent and Orally Available Bicyclo[1.1.1]pentane-Derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors. Acs Med.Chem.Lett., 11, 2020
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8GC8
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8GC7
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6X5Y
| IDO1 in complex with compound 4 | Descriptor: | 4-fluoro-N-{1-[5-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl]cyclopropyl}benzamide, Indoleamine 2,3-dioxygenase 1 | Authors: | Lesburg, C.A, Lammens, A. | Deposit date: | 2020-05-27 | Release date: | 2021-06-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Utilization of MetID and Structural Data to Guide Placement of Spiro and Fused Cyclopropyl Groups for the Synthesis of Low Dose IDO1 Inhibitors To Be Published
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6PU7
| Human IDO1 in complex with compound 17 (N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide) | Descriptor: | Indoleamine 2,3-dioxygenase 1, N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lesburg, C.A. | Deposit date: | 2019-07-17 | Release date: | 2019-12-04 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Discovery of Amino-cyclobutarene-derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors for Cancer Immunotherapy. Acs Med.Chem.Lett., 10, 2019
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7MF1
| Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody 47D1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 47D1 Fab heavy chain, ... | Authors: | Yuan, M, Zhu, X, Wilson, I.A. | Deposit date: | 2021-04-08 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.092 Å) | Cite: | Diverse immunoglobulin gene usage and convergent epitope targeting in neutralizing antibody responses to SARS-CoV-2. Cell Rep, 35, 2021
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5NNF
| Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated BAZ1B peptide (K221ac) | Descriptor: | Bromodomain-containing protein 4, FLPH(ALY)YDVKL | Authors: | Filippakopoulos, P, Picaud, S, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | Deposit date: | 2017-04-08 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains. Mol. Cell, 73, 2019
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