7ASS
 
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9C89
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9BKG
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9FE0
 | | Crystal Structure of reduced NuoEF variant R66G(NuoF) from Aquifex aeolicus bound to NAD+ | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | | Deposit date: | 2024-05-17 | | Release date: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I).
Biochim Biophys Acta Bioenerg, 1865, 2024
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7AT7
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9AUK
 | | Structure of SARS-CoV-2 Mpro mutant (A173V) in complex with Nirmatrelvir (PF-07321332) | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | | Deposit date: | 2024-02-29 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
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9C6X
 | | Crystal Structure of a single chain trimer composed of HLA-B*39:01 Y84C variant, beta-2microglobulin, and NRVMLPKAA peptide from NLRP2 | | Descriptor: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, NACHT, ... | | Authors: | Sharma, R, Amdare, N.P, Celikgil, A, Garforth, S.J, DiLorenzo, T.P, Almo, S.C, Ghosh, A. | | Deposit date: | 2024-06-09 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and biochemical analysis of highly similar HLA-B allotypes differentially associated with type 1 diabetes.
J.Biol.Chem., 2024
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9BAF
 | | Solution NMR structure of conofurin-Delta | | Descriptor: | Alpha-conotoxin LvIA | | Authors: | Harvey, P.J, Craik, D.J, Hone, A.J, McIntosh, J.M. | | Deposit date: | 2024-04-04 | | Release date: | 2024-07-03 | | Method: | SOLUTION NMR | | Cite: | Design, Synthesis, and Structure-Activity Relationships of Novel Peptide Derivatives of the Severe Acute Respiratory Syndrome-Coronavirus-2 Spike-Protein that Potently Inhibit Nicotinic Acetylcholine Receptors.
J.Med.Chem., 67, 2024
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9C57
 | | Reconstituted P400 Subcomplex of the human TIP60 complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, cytoplasmic 1, ... | | Authors: | Yang, Z, Mameri, A, Florez Ariza, A.J, Cote, J, Nogales, E. | | Deposit date: | 2024-06-05 | | Release date: | 2024-08-21 | | Last modified: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (2.75 Å) | | Cite: | Structural insights into the human NuA4/TIP60 acetyltransferase and chromatin remodeling complex.
Science, 385, 2024
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9EUE
 | | The FK1 domain of FKBP51 in complex with SAFit-analog 23a | | Descriptor: | (1-methylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Meyners, C, Buffa, V, Hausch, F. | | Deposit date: | 2024-03-27 | | Release date: | 2024-06-12 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 1,4-Pyrazolyl-Containing SAFit-Analogues are Selective FKBP51 Inhibitors With Improved Ligand Efficiency and Drug-Like Profile.
Chemmedchem, 19, 2024
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9C4D
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9BXA
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9B0Z
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9EO0
 | | Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 | | Descriptor: | Programmed cell death 1 ligand 1, SULFATE ION, ~{N}-[3-[3-[[5-[(2-hydroxyethylamino)methyl]pyridin-2-yl]carbonylamino]-2-methyl-phenyl]-2-methyl-phenyl]-5-[[3-(methylsulfonylamino)propylamino]methyl]pyridine-2-carboxamide | | Authors: | Plewka, J, Hec, A, Sitar, T, Holak, T. | | Deposit date: | 2024-03-14 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Nonsymmetrically Substituted 1,1'-Biphenyl-Based Small Molecule Inhibitors of the PD-1/PD-L1 Interaction.
Acs Med.Chem.Lett., 15, 2024
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9B4E
 | | Structure of wild type human PSS1 | | Descriptor: | (2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dihexadecanoate, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, CALCIUM ION, ... | | Authors: | Long, T, Li, X. | | Deposit date: | 2024-03-20 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Molecular insights into human phosphatidylserine synthase 1 reveal its inhibition promotes LDL uptake.
Cell, 2024
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4OI2
 | | C. Elegans Clp1 and ADP and Mg2+ (turnover state) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NONAETHYLENE GLYCOL, ... | | Authors: | Dikfidan, A, Loll, B, Zeymer, C, Clausen, T, Meinhart, A. | | Deposit date: | 2014-01-18 | | Release date: | 2014-05-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | RNA specificity and regulation of catalysis in the eukaryotic polynucleotide kinase clp1.
Mol.Cell, 54, 2014
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9F7K
 | | Glutathione transferase epsilon 1 from Drosophila melanogaster in complex with glutathione | | Descriptor: | GH14654p, GLUTATHIONE, GLYCEROL, ... | | Authors: | Didierjean, C, Schwartz, M, Neiers, F. | | Deposit date: | 2024-05-03 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and Thermodynamic Insights into Dimerization Interfaces of Drosophila Glutathione Transferases.
Biomolecules, 14, 2024
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9B5E
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9B4G
 | | Structure of inhibitor-bound human PSS1 | | Descriptor: | (2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dihexadecanoate, (7P)-7-[(4S)-4-{4-[3,5-bis(trifluoromethyl)phenoxy]phenyl}-5-(2,2-difluoropropyl)-6-oxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl]-1,3-benzoxazol-2(3H)-one, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, ... | | Authors: | Long, T, Li, X. | | Deposit date: | 2024-03-20 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (2.87 Å) | | Cite: | Molecular insights into human phosphatidylserine synthase 1 reveal its inhibition promotes LDL uptake.
Cell, 2024
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9EOF
 | | Structure of the human INTS5/8/10/15 subcomplex | | Descriptor: | Integrator complex subunit 10, Integrator complex subunit 15, Integrator complex subunit 5, ... | | Authors: | Razew, M, Galej, W.P. | | Deposit date: | 2024-03-14 | | Release date: | 2024-06-12 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (7.7 Å) | | Cite: | Structural basis of the Integrator complex assembly and association with transcription factors.
Mol.Cell, 84, 2024
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9FIF
 | | Crystal Structure of NuoEF variant P228R(NuoF) from Aquifex aeolicus bound to NADH under anoxic conditions | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | | Deposit date: | 2024-05-29 | | Release date: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I).
Biochim Biophys Acta Bioenerg, 1865, 2024
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9C3D
 | | Crystal structure of metallo-beta-lactamase superfamily protein CcrA-like_MBL-B1 from Dyadobacter fermentans | | Descriptor: | Metallo-beta-lactamase type 2, ZINC ION | | Authors: | Kim, Y, Maltseva, N, Welk, L, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2024-05-31 | | Release date: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of metallo-beta-lactamase superfamily protein CcrA-like_MBL-B1 from Dyadobacter fermentans
To Be Published
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9BJV
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4V3O
 | | Designed armadillo repeat protein with 5 internal repeats, 2nd generation C-cap and 3rd generation N-cap. | | Descriptor: | ACETATE ION, CALCIUM ION, YIII_M5_AII | | Authors: | Reichen, C, Madhurantakam, C, Pluckthun, A, Mittl, P. | | Deposit date: | 2014-10-20 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of Designed Armadillo-Repeat Proteins Show Propagation of Inter-Repeat Interface Effects
Acta Crystallogr.,Sect.D, 72, 2016
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9AUO
 | | Structure of SARS-CoV-2 Mpro mutant (L50F,T304I) | | Descriptor: | 3C-like proteinase nsp5 | | Authors: | Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | | Deposit date: | 2024-02-29 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.423 Å) | | Cite: | In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
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