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9EPM	Mpro from SARS-CoV-2 with 4A mutation Descriptor: Non-structural protein 11 Authors: Plewka, J, Lis, K, Czarna, A, Pyrc, K, Kantyka, T, Chykunova, Y. Deposit date: 2024-03-19 Release date: 2024-04-17 Last modified: 2024-04-24 Method: X-RAY DIFFRACTION (1.981 Å) Cite: SARS-CoV-2 M pro oligomerization as a potential target for therapy. Int.J.Biol.Macromol., 267, 2024
9EPL	Mpro from SARS-CoV-2 with 298Q mutation Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Non-structural protein 11, ... Authors: Plewka, J, Lis, K, Czarna, A, Pyrc, K, Kantyka, T, Chykunova, Y. Deposit date: 2024-03-18 Release date: 2024-04-17 Last modified: 2024-04-24 Method: X-RAY DIFFRACTION (1.8 Å) Cite: SARS-CoV-2 M pro oligomerization as a potential target for therapy. Int.J.Biol.Macromol., 267, 2024
9EOQ	Cryo-EM Structure of a 1033 Scaffold Base DNA Origami Nanostructure V4 and TBA Descriptor: DNA (42-MER), DNA (5'-D(P*AP*TP*AP*TP*AP*GP*CP*GP*TP*GP*GP*AP*AP*GP*T)-3') Authors: Ali, K, Georg, K, Volodymyr, M, Johanna, G, Maximilian, N.H, Lukas, K, Simone, C, Hendrik, D. Deposit date: 2024-03-15 Release date: 2024-04-24 Method: ELECTRON MICROSCOPY (7.5 Å) Cite: Designing Rigid DNA Origami Templates for Molecular Visualization Using Cryo-EM. Nano Lett., 2024
9EOJ	Vertebrate microtubule-capping gamma-tubulin ring complex Descriptor: Gamma-tubulin complex component, Gamma-tubulin complex component 3 homolog, Gamma-tubulin complex component 6, ... Authors: Vermeulen, B.J.A, Pfeffer, S. Deposit date: 2024-03-15 Release date: 2024-04-17 Method: ELECTRON MICROSCOPY (17 Å) Cite: gamma-TuRC asymmetry induces local protofilament mismatch at the RanGTP-stimulated microtubule minus end. Embo J., 2024
9EN6	Crystal structure of RNA G2C4 repeats - native model pH 6.5 Descriptor: MAGNESIUM ION, RNA (5'-R(*GP*GP*CP*CP*CP*C)-3') Authors: Mateja-Pluta, M, Kiliszek, A. Deposit date: 2024-03-12 Release date: 2024-05-01 Method: X-RAY DIFFRACTION (0.918 Å) Cite: Antisense RNA C9orf72 Hexanucleotide Repeat Associated With ALS/FTD Forms A Triplex-Like Structure and Binds Small Synthetic Molecule ANP77 To be published
9EMV	SARS-CoV-2 nsp10-16 methyltransferase in complex with Sangivamycin and m7GpppA (Cap0-analog)/m7GpppAm (Cap1-analog) Descriptor: 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... Authors: Kremling, V, Sprenger, J, Oberthuer, D, Scheer, T.E.S. Deposit date: 2024-03-11 Release date: 2024-03-20 Method: X-RAY DIFFRACTION (2.34 Å) Cite: SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development To Be Published
9EML	SARS-CoV-2 methyltransferase nsp10-16 in complex with SAM and m7GpppA (Cap0-analog)/m7GpppAm (Cap1-analog) Descriptor: 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... Authors: Kremling, V, Sprenger, J, Oberthuer, D, Kiene, A. Deposit date: 2024-03-08 Release date: 2024-03-20 Method: X-RAY DIFFRACTION (2.4 Å) Cite: SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development To Be Published
9EMJ	SARS-CoV-2 methyltransferase nsp10-16 in complex with Toyocamycin and m7GpppA (Cap0-analog) Descriptor: 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ... Authors: Kremling, V, Sprenger, J, Oberthuer, D, Kiene, A. Deposit date: 2024-03-08 Release date: 2024-03-20 Method: X-RAY DIFFRACTION (1.79 Å) Cite: SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development To Be Published
9DNA	CRYSTAL STRUCTURE ANALYSIS OF AN A-DNA FRAGMENT AT 1.8 ANGSTROMS RESOLUTION. D(GCCCGGGC) Descriptor: DNA (5'-D(*GP*CP*CP*CP*GP*GP*GP*C)-3') Authors: Heinemann, U. Deposit date: 1987-07-10 Release date: 1988-01-16 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal structure analysis of an A-DNA fragment at 1.8 A resolution: d(GCCCGGGC). Nucleic Acids Res., 15, 1987
9CGT	STRUCTURE OF CYCLODEXTRIN GLYCOSYLTRANSFERASE COMPLEXED WITH A THIO-MALTOPENTAOSE Descriptor: CALCIUM ION, PROTEIN (CYCLODEXTRIN-GLYCOSYLTRANSFERASE), alpha-D-glucopyranose-(1-4)-4-thio-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-4-thio-alpha-D-glucopyranose-(1-4)-1-thio-alpha-D-glucopyranose Authors: Schmidt, A.K, Schulz, G.E. Deposit date: 1998-09-27 Release date: 1998-10-14 Last modified: 2021-11-03 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Substrate binding to a cyclodextrin glycosyltransferase and mutations increasing the gamma-cyclodextrin production. Eur.J.Biochem., 255, 1998
9CA2	ENGINEERING THE HYDROPHOBIC POCKET OF CARBONIC ANHYDRASE II Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION Authors: Alexander, R.S, Christianson, D.W. Deposit date: 1991-07-09 Release date: 1992-07-15 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Engineering the hydrophobic pocket of carbonic anhydrase II. Biochemistry, 30, 1991
9BNA	RE-REFINEMENT OF THE B-DODECAMER D(CGCGAATTCGCG) WITH A COMPARATIVE ANALYSIS OF THE SOLVENT IN IT AND IN THE Z-HEXAMER D(5BRCG5BRCG5BRCG) Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') Authors: Westhof, E. Deposit date: 1990-02-01 Release date: 1991-04-15 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Re-refinement of the B-dodecamer d(CGCGAATTCGCG) with a comparative analysis of the solvent in it and in the Z-hexamer d(5BrCG5BrCG5BrCG). J.Biomol.Struct.Dyn., 5, 1987
9BHS	Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound Descriptor: (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN LIGAND Authors: kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) Deposit date: 2024-04-21 Release date: 2024-05-01 Method: X-RAY DIFFRACTION (1.43 Å) Cite: Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound To be published
9BHA	Human DNA polymerase theta helicase domain dimer bound to DNA in the microhomology annealed conformation Descriptor: DNA polymerase theta, Stem-loop DNA with microhomology in the 3' overhang Authors: Zerio, C.J, Lander, G.C. Deposit date: 2024-04-19 Release date: 2024-05-01 Method: ELECTRON MICROSCOPY (3.5 Å) Cite: Human polymerase theta helicase positions DNA microhomologies for double-strand break repair To Be Published
9BH9	Human DNA polymerase theta helicase domain dimer bound to DNA in the microhomology aligning conformation Descriptor: DNA polymerase theta, Stem-loop DNA with microhomology in the 3' overhang Authors: Zerio, C.J, Lander, G.C. Deposit date: 2024-04-19 Release date: 2024-05-01 Method: ELECTRON MICROSCOPY (3.5 Å) Cite: Human polymerase theta helicase positions DNA microhomologies for double-strand break repair To Be Published
9BH8	Human DNA polymerase theta helicase domain dimer bound to DNA in the microhomology searching conformation Descriptor: DNA polymerase theta, Stem-loop DNA with microhomology in the 3' overhang Authors: Zerio, C.J, Lander, G.C. Deposit date: 2024-04-19 Release date: 2024-05-01 Method: ELECTRON MICROSCOPY (3.6 Å) Cite: Human polymerase theta helicase positions DNA microhomologies for double-strand break repair To Be Published
9BH7	Human DNA polymerase theta helicase domain dimer in the apo form Descriptor: DNA polymerase theta Authors: Zerio, C.J, Lander, G.C. Deposit date: 2024-04-19 Release date: 2024-05-01 Method: ELECTRON MICROSCOPY (3.5 Å) Cite: Human polymerase theta helicase positions DNA microhomologies for double-strand break repair To Be Published
9BH6	Human DNA polymerase theta helicase domain tetramer in the apo form Descriptor: DNA polymerase theta Authors: Zerio, C.J, Lander, G.C. Deposit date: 2024-04-19 Release date: 2024-05-01 Method: ELECTRON MICROSCOPY (3.3 Å) Cite: Human polymerase theta helicase positions DNA microhomologies for double-strand break repair To Be Published
9BEI	Cryo-EM structure of synthetic claudin-4 complex with Clostridium perfringens enterotoxin C-terminal domain, sFab COP-2, and Nanobody Descriptor: Anti-fab nanobody, COP-2 Fab Heavy chain, COP-2 Fab Light chain, ... Authors: Vecchio, A.J. Deposit date: 2024-04-15 Release date: 2024-04-24 Method: ELECTRON MICROSCOPY (4.16 Å) Cite: Computational design of soluble functional analogues of integral membrane proteins To be published
9BDX	NF-kappaB RelA homo-dimer bound to CG-centric kappaB DNA Descriptor: DNA (5'-D(*AP*TP*CP*AP*CP*TP*GP*GP*AP*AP*GP*TP*TP*CP*CP*CP*AP*GP*T)-3'), DNA (5'-D(P*AP*CP*TP*GP*GP*GP*AP*AP*CP*TP*TP*CP*CP*AP*GP*TP*GP*AP*T)-3'), Transcription factor p65 Authors: Biswas, T, Shahabi, S, Tsodikov, O.V, Ghosh, G. Deposit date: 2024-04-12 Release date: 2024-04-24 Method: X-RAY DIFFRACTION (3.6 Å) Cite: Transient interactions modulate affinity of NF-kappaB transcription factors for DNA To Be Published
9BDW	NF-kappaB RelA homo-dimer bound to GC-centric kappaB DNA Descriptor: DNA (5'-D(P*AP*CP*TP*GP*GP*GP*AP*AP*GP*TP*TP*CP*CP*AP*GP*TP*GP*AP*T)-3'), DNA (5'-D(P*AP*TP*CP*AP*CP*TP*GP*GP*AP*AP*CP*TP*TP*CP*CP*CP*AP*GP*T)-3'), SULFATE ION, ... Authors: Biswas, T, Shahabi, S, Tsodikov, O.V, Huang, D, Ghosh, G. Deposit date: 2024-04-12 Release date: 2024-04-24 Method: X-RAY DIFFRACTION (1.87 Å) Cite: Transient interactions modulate affinity of NF-kappaB transcription factors for DNA To Be Published
9BDV	NF-kappaB RelA homo-dimer bound to TA-centric kappaB DNA Descriptor: DNA (5'-D(*AP*TP*CP*AP*CP*TP*GP*GP*AP*AP*AP*TP*TP*CP*CP*CP*AP*GP*T)-3'), DNA (5'-D(P*AP*CP*TP*GP*GP*GP*AP*AP*TP*TP*TP*CP*CP*AP*GP*TP*GP*AP*T)-3'), SULFATE ION, ... Authors: Biswas, T, Shahabi, S, Tsodikov, O.V. Deposit date: 2024-04-12 Release date: 2024-04-24 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Transient interactions modulate affinity of NF-kappaB transcription factors for DNA To Be Published
9BDU	NF-kappaB RelA homo-dimer bound to AT-centric kappaB DNA Descriptor: DNA (5'-D(P*AP*CP*TP*GP*GP*GP*AP*AP*AP*TP*TP*CP*CP*AP*GP*TP*GP*AP*T)-3'), DNA (5'-D(P*AP*TP*CP*AP*CP*TP*GP*GP*AP*AP*TP*TP*TP*CP*CP*CP*AP*GP*T)-3'), SULFATE ION, ... Authors: Biswas, T, Huang, D, Ghosh, G. Deposit date: 2024-04-12 Release date: 2024-04-24 Method: X-RAY DIFFRACTION (2.03 Å) Cite: Transient interactions modulate affinity of NF-kappaB transcription factors for DNA To Be Published
9BCB	Crystal structure of human cellular retinol binding protein 3 in complex with C11 TopFluor MG Descriptor: 1-[11-(dipyrrometheneboron difluoride)undecanoyl]-rac-glycerol, GLYCEROL, Retinol-binding protein 5 Authors: Golczak, M. Deposit date: 2024-04-08 Release date: 2024-04-17 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Interactom of cellular retinol binding protein 3. To Be Published
9B8E	Structure of S-nitrosylated Legionella pneumophila Ceg10. Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... Authors: Tomchick, D.R, Heisler, D.B, Alto, N.M. Deposit date: 2024-03-29 Release date: 2024-04-10 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Exploiting Bacterial Effector Proteins to Uncover Evolutionarily Conserved Antiviral Host Machinery To Be Published

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