8T4K
| MD64 N332-GT5 SOSIP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MD64 N332-GT5 SOSIP gp120, ... | Authors: | Ozorowski, G, Torres, J.L, Ward, A.B. | Deposit date: | 2023-06-09 | Release date: | 2024-05-08 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Vaccine priming of rare HIV broadly neutralizing antibody precursors in nonhuman primates. Science, 384, 2024
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6U9S
| Crystal structure of human CD81 large extracellular loop in complex with 5A6 Fab | Descriptor: | 5A6 FAB Heavy Chain, 5A6 FAB Light Chain, CD81 antigen, ... | Authors: | Susa, K.J, Seegar, T.C.M, Blacklow, S.C.B, Kruse, A.C. | Deposit date: | 2019-09-09 | Release date: | 2020-05-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A dynamic interaction between CD19 and the tetraspanin CD81 controls B cell co-receptor trafficking. Elife, 9, 2020
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8F5A
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8F7M
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8PYW
| Crystal structure of the human Nucleoside-diphosphate kinase B domain bound to compound diphosphate form of AT-9052-Sp. | Descriptor: | GLYCEROL, Nucleoside diphosphate kinase B, [[(2R,3R,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphoryl] dihydrogen phosphate | Authors: | Feracci, M, Chazot, A. | Deposit date: | 2023-07-26 | Release date: | 2023-12-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.553 Å) | Cite: | An exonuclease-resistant chain-terminating nucleotide analogue targeting the SARS-CoV-2 replicase complex. Nucleic Acids Res., 52, 2024
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8Q7N
| cryo-EM structure of the human spliceosomal B complex protomer (tri-snRNP core region) | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, MINX pre-mRNA, Microfibrillar-associated protein 1, ... | Authors: | Zhang, Z, Kumar, V, Dybkov, O, Will, C.L, Urlaub, H, Stark, H, Luehrmann, R. | Deposit date: | 2023-08-16 | Release date: | 2024-01-24 | Last modified: | 2024-08-07 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM analyses of dimerized spliceosomes provide new insights into the functions of B complex proteins. Embo J., 43, 2024
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8PQL
| K48-linked ubiquitin chain formation with a cullin-RING E3 ligase and Cdc34: NEDD8-CUL2-RBX1-ELOB/C-FEM1C with trapped UBE2R2-donor UB-acceptor UB-SIL1 peptide | Descriptor: | 5-azanylpentan-2-one, Cullin-2, E3 ubiquitin-protein ligase RBX1, ... | Authors: | Liwocha, J, Prabu, J.R, Kleiger, G, Schulman, B.A. | Deposit date: | 2023-07-11 | Release date: | 2024-02-14 | Last modified: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.76 Å) | Cite: | Mechanism of millisecond Lys48-linked poly-ubiquitin chain formation by cullin-RING ligases. Nat.Struct.Mol.Biol., 31, 2024
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6P1D
| Crystal structure of EGFR with mutant-selective dihydrodibenzodiazepinone allosteric inhibitor | Descriptor: | 10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one, Epidermal growth factor receptor, MAGNESIUM ION, ... | Authors: | Heppner, D.E, Eck, M.J. | Deposit date: | 2019-05-19 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery and Optimization of Dibenzodiazepinones as Allosteric Mutant-Selective EGFR Inhibitors. Acs Med.Chem.Lett., 10, 2019
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8FDG
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6P8A
| E.coli LpxD in complex with compound 8.1 | Descriptor: | 2-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]-N-[3-(morpholin-4-yl)propyl]acetamide, 3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, MAGNESIUM ION, ... | Authors: | Ma, X, Shia, S. | Deposit date: | 2019-06-06 | Release date: | 2019-08-28 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Biological Basis of Small Molecule Inhibition ofEscherichia coliLpxD Acyltransferase Essential for Lipopolysaccharide Biosynthesis. Acs Infect Dis., 6, 2020
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6USN
| Co-crystal structure of SPR with compound 5 | Descriptor: | (2-hydroxyphenyl)[3-methyl-1-(pyridin-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]methanone, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Huang, X, Wang, K. | Deposit date: | 2019-10-28 | Release date: | 2019-12-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.773 Å) | Cite: | Virtual screening to identify potent sepiapterin reductase inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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7Q7Q
| LIPIDIC CUBIC PHASE SERIAL FEMTOSECOND CRYSTALLOGRAPHY STRUCTURE OF A PHOTOSYNTHETIC REACTION CENTRE | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, ... | Authors: | Baath, P, Banacore, A, Neutze, R. | Deposit date: | 2021-11-09 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Lipidic cubic phase serial femtosecond crystallography structure of a photosynthetic reaction centre. Acta Crystallogr D Struct Biol, 78, 2022
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7Q7P
| LIPIDIC CUBIC PHASE SERIAL FEMTOSECOND CRYSTALLOGRAPHY STRUCTURE OF A PHOTOSYNTHETIC REACTION CENTRE | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, ... | Authors: | Baath, P, Banacore, A, Neutze, R. | Deposit date: | 2021-11-09 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Lipidic cubic phase serial femtosecond crystallography structure of a photosynthetic reaction centre. Acta Crystallogr D Struct Biol, 78, 2022
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5Y4E
| Crystal Structure of AnkB Ankyrin Repeats R8-14 in complex with autoinhibition segment AI-b | Descriptor: | Ankyrin-2,Ankyrin-2, GLYCEROL, SULFATE ION | Authors: | Chen, K, Li, J, Wang, C, Wei, Z, Zhang, M. | Deposit date: | 2017-08-03 | Release date: | 2017-09-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.341 Å) | Cite: | Autoinhibition of ankyrin-B/G membrane target bindings by intrinsically disordered segments from the tail regions. Elife, 6, 2017
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8FTC
| Crystal structure of main protease of SARS-CoV-2 complexed with inhibitor | Descriptor: | (1R,2S,5S)-3-[N-(difluoroacetyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | Authors: | Chen, P, Khan, M.B, Lu, J, Arutyunova, E, Young, H.S, Lemieux, M.J. | Deposit date: | 2023-01-11 | Release date: | 2023-12-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Effect of Deuteration and Homologation of the Lactam Ring of Nirmatrelvir on Its Biochemical Properties and Oxidative Metabolism. Acs Bio Med Chem Au, 3, 2023
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6UW5
| The crystal structure of FbiA from Mycobacterium smegmatis, GDP and Fo bound form | Descriptor: | 1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Grinter, R, Gillett, D, Cordero, P.R.F, Greening, C. | Deposit date: | 2019-11-04 | Release date: | 2020-05-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Cellular and Structural Basis of Synthesis of the Unique Intermediate Dehydro-F420-0 in Mycobacteria. mSystems, 5, 2020
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8R5H
| Ubiquitin ligation to neosubstrate by a cullin-RING E3 ligase & Cdc34: NEDD8-CUL2-RBX1-ELOB/C-VHL-MZ1 with trapped UBE2R2~donor UB-BRD4 BD2 | Descriptor: | (2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-2,3-dihydro-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 5-azanylpentan-2-one, Bromodomain-containing protein 4, ... | Authors: | Liwocha, J, Prabu, J.R, Kleiger, G, Schulman, B.A. | Deposit date: | 2023-11-16 | Release date: | 2024-02-21 | Last modified: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.44 Å) | Cite: | Cullin-RING ligases employ geometrically optimized catalytic partners for substrate targeting. Mol.Cell, 84, 2024
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8FUK
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8D6E
| Crystal Structure of Human Myt1 Kinase domain Bounded with RP-6306 | Descriptor: | (1P)-2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide, 1,2-ETHANEDIOL, GLYCEROL, ... | Authors: | Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F. | Deposit date: | 2022-06-06 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306. J.Med.Chem., 65, 2022
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8D6D
| Crystal Structure of Human Myt1 Kinase domain Bounded with compound 39 | Descriptor: | (1P)-2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, 1,2-ETHANEDIOL, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, ... | Authors: | Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F. | Deposit date: | 2022-06-06 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306. J.Med.Chem., 65, 2022
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7B3H
| Notum complex with ARUK3003909 | Descriptor: | 1,2-ETHANEDIOL, 6-((3-(trifluoromethoxy)phenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one, DIMETHYL SULFOXIDE, ... | Authors: | Zhao, Y, Jones, E.Y, Fish, P. | Deposit date: | 2020-11-30 | Release date: | 2021-12-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity. J.Med.Chem., 65, 2022
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6VBP
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5MW6
| Crystal structure of the BCL6 BTB-domain with compound 1 | Descriptor: | 5-chloranyl-~{N}-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine, B-cell lymphoma 6 protein | Authors: | Davies, D.R, Kessler, D. | Deposit date: | 2017-01-18 | Release date: | 2017-10-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Chemically Induced Degradation of the Oncogenic Transcription Factor BCL6. Cell Rep, 20, 2017
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6VII
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8ROP
| Crystal structure of HLA B*18:01 in complex with QEIRTFSF, an 8-mer epitope from Influenza A | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ... | Authors: | Murdolo, L.D, Maddumage, J.C, Gras, S. | Deposit date: | 2024-01-12 | Release date: | 2024-05-08 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Characterisation of novel influenza-derived HLA-B*18:01-restricted epitopes. Clin Transl Immunology, 13, 2024
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