8RPX
 
 | | NhoI restriction endonuclease in complex with quadruply methylated DNA target | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DNA (5'-D(*CP*TP*GP*(5CM)P*AP*GP*(5CM)P*TP*C)-3'), ... | | Authors: | Rafalski, D, Krakowska, K, Gilski, M, Bochtler, M. | | Deposit date: | 2024-01-17 | | Release date: | 2024-07-17 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structural analysis of the BisI family of modification dependent restriction endonucleases.
Nucleic Acids Res., 2024
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8RPO
 | | BFL1 in complex with a reversible covalent ligand | | Descriptor: | (~{E})-2-cyano-3-(2-dimethylphosphorylphenyl)-~{N}-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]prop-2-enamide, Bcl-2-related protein A1 | | Authors: | Hargreaves, D. | | Deposit date: | 2024-01-16 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.791 Å) | | Cite: | Identification and Evaluation of Reversible Covalent Binders to Cys55 of Bfl-1 from a DNA-Encoded Chemical Library Screen.
Acs Med.Chem.Lett., 15, 2024
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8RPJ
 | | JanthE from Janthinobacterium sp. HH01 | | Descriptor: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Lanza, L, Leogrande, C, Rabe von Pappenheim, F, Tittmann, K, Mueller, M. | | Deposit date: | 2024-01-16 | | Release date: | 2024-06-12 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification and Characterization of Thiamine Diphosphate-Dependent Lyases with an Unusual CDG Motif.
Angew.Chem.Int.Ed.Engl., 2024
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8RPB
 | | Structure of S79 Fab in complex with IgV domain of human PD-L1 | | Descriptor: | CHLORIDE ION, GLYCEROL, Programmed cell death 1 ligand 1, ... | | Authors: | Svensson, A, Kelpsas, V, Laursen, M, Rose, N. | | Deposit date: | 2024-01-15 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.794 Å) | | Cite: | Structural analysis of light chain-driven bispecific antibodies targeting CD47 and PD-L1.
Mabs, 16, 2024
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8RP8
 | | Structure of K2 Fab in complex with human CD47 ECD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Laursen, M, Kelpsas, V, Rose, N. | | Deposit date: | 2024-01-12 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural analysis of light chain-driven bispecific antibodies targeting CD47 and PD-L1.
Mabs, 16, 2024
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8ROY
 | | Structure of the human DDB1-DDA1-DCAF15 E3 ubiquitin ligase bound to compound furan 24 | | Descriptor: | 1-[5-[[3,4-bis(chloranyl)-1~{H}-indol-7-yl]sulfamoyl]-3-methyl-furan-2-yl]carbonyl-~{N}-methyl-piperidine-4-carboxamide, DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, ... | | Authors: | Shilliday, F, Lucas, S.C.C, Richter, M, Michaelides, I.N, Fusani, L. | | Deposit date: | 2024-01-12 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Optimization of Potent Ligands for the E3 Ligase DCAF15 and Evaluation of Their Use in Heterobifunctional Degraders.
J.Med.Chem., 67, 2024
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8ROX
 | | Structure of the human DDB1-DDA1-DCAF15 E3 ubiquitin ligase bound to compound furan 12 | | Descriptor: | 5-[[3,4-bis(chloranyl)-1~{H}-indol-7-yl]sulfamoyl]-~{N},~{N},3-trimethyl-furan-2-carboxamide;ethane, DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, ... | | Authors: | Shilliday, F, Lucas, S.C.C, Richter, M, Michaelides, I.N, Fusani, L. | | Deposit date: | 2024-01-12 | | Release date: | 2024-04-03 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Optimization of Potent Ligands for the E3 Ligase DCAF15 and Evaluation of Their Use in Heterobifunctional Degraders.
J.Med.Chem., 67, 2024
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8RND
 | | Cathepsin S in complex with NNPI-C10 inhibitor | | Descriptor: | 1,2-ETHANEDIOL, Cathepsin S, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Petruzzella, A, Lau, K, Pojer, F, Oricchio, E. | | Deposit date: | 2024-01-09 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Antibody-peptide conjugates deliver covalent inhibitors blocking oncogenic cathepsins.
Nat.Chem.Biol., 2024
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8RM7
 | | Crystal Structure of Human Androgen Receptor DNA Binding Domain Bound to its Response Element: MMTV-177 GRE/ARE | | Descriptor: | Isoform 2 of Androgen receptor, MMTV-177 GRE/ARE Chain C, MMTV-177 GRE/ARE, ... | | Authors: | Lee, X.Y, Helsen, C, Van Eynde, W, Voet, A, Claessens, F. | | Deposit date: | 2024-01-05 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural mechanism underlying variations in DNA binding by the androgen receptor.
J.Steroid Biochem.Mol.Biol., 241, 2024
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8RM6
 | | Crystal Structure of Human Androgen Receptor DNA Binding Domain Bound to its Response Element: C3(1)ARE | | Descriptor: | C3(1)ARE_Chain C, C3(1)ARE_Chain D, Isoform 2 of Androgen receptor, ... | | Authors: | Lee, X.Y, Helsen, C, Van Eynde, W, Voet, A, Claessens, F. | | Deposit date: | 2024-01-05 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural mechanism underlying variations in DNA binding by the androgen receptor.
J.Steroid Biochem.Mol.Biol., 241, 2024
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8RM5
 | | Cryo-EM structure of the cross-exon pre-B+5'ssLNG+ATPyS complex | | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, 5'SS oligo, NHP2-like protein 1, ... | | Authors: | Zhang, Z, Kumar, V, Dybkov, O, Will, C.L, Zhong, J, Ludwig, S, Urlaub, H, Kastner, B, Stark, H, Luehrmann, R. | | Deposit date: | 2024-01-05 | | Release date: | 2024-05-22 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (6.9 Å) | | Cite: | Structural insights into the cross-exon to cross-intron spliceosome switch.
Nature, 630, 2024
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8RKI
 | | Molecular basis of ZP3/ZP1 heteropolymerization: crystal structure of a native vertebrate egg coat filament fragment | | Descriptor: | Choriogenin H, YTTERBIUM (III) ION, Zona pellucida sperm-binding protein 3, ... | | Authors: | Wiseman, B, Zamora-Caballero, S, de Sanctis, D, Yasumasu, S, Jovine, L. | | Deposit date: | 2023-12-25 | | Release date: | 2024-03-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (4.2 Å) | | Cite: | ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
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8RKH
 | | Crystal structure of the ZP-N2 and ZP-N3 domains of mouse ZP2 (mZP2-N2N3) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Zona pellucida sperm-binding protein 2, ... | | Authors: | Fahrenkamp, D, de Sanctis, D, Jovine, L. | | Deposit date: | 2023-12-25 | | Release date: | 2024-03-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
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8RKG
 | | Crystal structure of tetrameric collagenase-cleaved Xenopus ZP2-N2N3 (cleaved xZP2-N2N3) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BICINE, ... | | Authors: | Nishio, S, de Sanctis, D, Jovine, L. | | Deposit date: | 2023-12-25 | | Release date: | 2024-03-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
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8RKF
 | | Crystal structure of the ZP-N1 and ZP-N2 domains of human ZP2 (hZP2-N1N2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Zona pellucida sperm-binding protein 2 | | Authors: | Dioguardi, E, Stsiapanava, A, de Sanctis, D, Jovine, L. | | Deposit date: | 2023-12-25 | | Release date: | 2024-03-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
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8RKE
 | | Crystal structure of the complete N-terminal region of human ZP2 (hZP2-N1N2N3) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Zona pellucida sperm-binding protein 2, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Fahrenkamp, D, de Sanctis, D, Jovine, L. | | Deposit date: | 2023-12-25 | | Release date: | 2024-03-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
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8RK1
 | | Crystal structure of FutA bound to Fe(III) solved by neutron diffraction | | Descriptor: | FE (III) ION, Putative iron ABC transporter, substrate binding protein | | Authors: | Bolton, R, Tews, I. | | Deposit date: | 2023-12-22 | | Release date: | 2024-01-17 | | Last modified: | 2024-03-27 | | Method: | NEUTRON DIFFRACTION (2.095 Å) | | Cite: | A redox switch allows binding of Fe(II) and Fe(III) ions in the cyanobacterial iron-binding protein FutA from Prochlorococcus.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8RJZ
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GUE-3801 (compound 80 in publication) | | Descriptor: | (7~{S})-6-[2-[2,4-bis(chloranyl)phenoxy]ethanoyl]-14-fluoranyl-10-(iminomethyl)-9-methyl-7-(phenylmethyl)-2-oxa-6,9,10-triazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-8-one, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase nsp5, ... | | Authors: | Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A. | | Deposit date: | 2023-12-22 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs.
J.Med.Chem., 67, 2024
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8RJY
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalent inhibitor GUE-3899 (compound 58 in publication) | | Descriptor: | 3C-like proteinase nsp5, ~{N}-[(2~{S})-1-[[(2~{S})-1-[[(4-chlorophenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide | | Authors: | Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A. | | Deposit date: | 2023-12-22 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs.
J.Med.Chem., 67, 2024
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8RJV
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalent inhibitor GUE-3778 (compound 12 in publication) | | Descriptor: | (phenylmethyl) ~{N}-[(2~{S})-1-[[(3-chloranyl-2-fluoranyl-phenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate, 3C-like proteinase nsp5 | | Authors: | Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A. | | Deposit date: | 2023-12-21 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs.
J.Med.Chem., 67, 2024
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8RJL
 | | Structure of a first order Sierpinski triangle formed by the H369R mutant of the citrate synthase from Synechococcus elongatus | | Descriptor: | Citrate synthase | | Authors: | Lo, Y.K, Bohn, S, Sendker, F.L, Schuller, J.M, Hochberg, G. | | Deposit date: | 2023-12-21 | | Release date: | 2024-02-28 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.34 Å) | | Cite: | Emergence of fractal geometries in the evolution of a metabolic enzyme.
Nature, 628, 2024
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8RJK
 | | Pseudoatomic model of a second-order Sierpinski triangle formed by the citrate synthase from Synechococcus elongatus | | Descriptor: | Citrate synthase | | Authors: | Lo, Y.K, Bohn, S, Sendker, F.L, Schuller, J.M, Hochberg, G. | | Deposit date: | 2023-12-21 | | Release date: | 2024-02-28 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (5.91 Å) | | Cite: | Emergence of fractal geometries in the evolution of a metabolic enzyme.
Nature, 628, 2024
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8RJ9
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8RJ6
 | | E. coli adenylate kinase in complex with ATP and AMP and Mg2+ as a result of enzymatic AP4A hydrolysis. | | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Tischlik, S, Ronge, P, Wolf-Watz, M, Sauer-Eriksson, A.E. | | Deposit date: | 2023-12-20 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Magnesium Induced Structural Preorganization in the Active Site of Adenylate Kinase.
Sci Adv, 2024
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8RJ4
 | | E. coli adenylate kinase in complex with two ADP molecules and Mg2+ as a result of enzymatic AP4A hydrolysis | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase, CHLORIDE ION, ... | | Authors: | Tischlik, S, Ronge, P, Wolf-Watz, M, Sauer-Eriksson, A.E. | | Deposit date: | 2023-12-20 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Magnesium Induced Structural Preorganization in the Active Site of Adenylate Kinase.
Sci Adv, 2024
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