8FZA
 
 | | Class I type III preQ1 riboswitch from E. coli | | Descriptor: | 7-DEAZA-7-AMINOMETHYL-GUANINE, MANGANESE (II) ION, PreQ1 Riboswitch (30-MER) | | Authors: | Wedekind, J.E, Schroeder, G.M, Jenkins, J.L. | | Deposit date: | 2023-01-27 | | Release date: | 2023-08-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and function analysis of a type III preQ 1 -I riboswitch from Escherichia coli reveals direct metabolite sensing by the Shine-Dalgarno sequence.
J.Biol.Chem., 299, 2023
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8Q81
 | | Photorhabdus laumondii lectin PLL3 in complex with alpha-methyl-fucoside | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Photorhabdus luminescens subsp. laumondii TTO1 complete genome segment 3/17, ... | | Authors: | Melicher, F, Houser, J, Paulenova, E, Wimmerova, M. | | Deposit date: | 2023-08-17 | | Release date: | 2025-03-05 | | Last modified: | 2025-07-02 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The insight into the biology of five homologous lectins produced by the entomopathogenic bacterium and nematode symbiont Photorhabdus laumondii.
Glycobiology, 35, 2025
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7S80
 | | Crystal structure of iAChSnFR Acetylcholine Sensor precursor binding protein | | Descriptor: | 1,2-ETHANEDIOL, MALONATE ION, iAchSnFR Fluorescent Acetylcholine Sensor precursor binding protein | | Authors: | Fan, C, Borden, P.M, Looger, L.L, Lester, H.A, Rees, D.C. | | Deposit date: | 2021-09-17 | | Release date: | 2021-10-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure, Function, and Application of Bacterial ABC Transporters
Ph.D.Thesis,California Institute of Technology, 2020
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9GTK
 | | KRAS in complex with DARPin 784_F5 | | Descriptor: | 1,2-ETHANEDIOL, DARPin 784_F5, Isoform 2B of GTPase KRas, ... | | Authors: | Kapp, J.N, Verdurmen, W, Schaefer, J.V, Kopra, K, Nagy-Davidescu, G, Richard, E, Nokin, M.J, Ernst, P, Tamaskovic, R, Schwill, M, Degen, R, Scholl, C, Santamaria, D, Plueckthun, A. | | Deposit date: | 2024-09-18 | | Release date: | 2025-06-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A nucleotide-independent, pan-RAS-targeted DARPin elicits anti-tumor activity in a multimodal manner.
Mol Oncol, 2025
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6FUQ
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6WXP
 | | De novo TIM barrel-ferredoxin fold fusion homodimer with 4-glutamate centre TFD-EE | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, TFD-EE | | Authors: | Caldwell, S.J, Zeymer, C, Haydon, I.C, Huang, P, Hilvert, D, Baker, D. | | Deposit date: | 2020-05-11 | | Release date: | 2020-11-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion.
Proc.Natl.Acad.Sci.USA, 117, 2020
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8FXR
 | | Structure of neck with portal vertex of capsid of Agrobacterium phage Milano | | Descriptor: | Collar sheath protein, gp13, Linking protein 1, ... | | Authors: | Sonani, R.R, Wang, F, Esteves, N.C, Kelly, R.J, Sebastian, A, Kreutzberger, M.A.B, Leiman, P.G, Scharf, B.E, Egelman, E.H. | | Deposit date: | 2023-01-25 | | Release date: | 2023-12-06 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Neck and capsid architecture of the robust Agrobacterium phage Milano.
Commun Biol, 6, 2023
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8FWG
 | | Structure of neck and portal vertex of Agrobacterium phage Milano, C5 symmetry | | Descriptor: | Collar sheath protein, gp13, Linking protein 1, ... | | Authors: | Sonani, R.R, Wang, F, Esteves, N.C, Kelly, R.J, Sebastian, A, Kreutzberger, M.A.B, Leiman, P.G, Scharf, B.E, Egelman, E.H. | | Deposit date: | 2023-01-22 | | Release date: | 2023-12-06 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Neck and capsid architecture of the robust Agrobacterium phage Milano.
Commun Biol, 6, 2023
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6WN0
 | | The structure of a CoA-dependent acyl-homoserine lactone synthase, RpaI, with the adduct of SAH and p-coumaroyl CoA | | Descriptor: | (2S)-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)-2-{[(2E)-3-(cis-4-hydroxycyclohexa-2,5-dien-1-yl)prop-2-enoyl]amino}butanoic acid, 4-coumaroyl-homoserine lactone synthase, COENZYME A | | Authors: | Dong, S.-H, Nair, S.K. | | Deposit date: | 2020-04-22 | | Release date: | 2020-05-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-Guided Biochemical Analysis of Quorum Signal Synthase Specificities.
Acs Chem.Biol., 15, 2020
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8G20
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3D2V
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6W65
 | | Human PARP16 in complex with RBN010860 | | Descriptor: | 1,2-ETHANEDIOL, 5-{5-[(piperidin-4-yl)oxy]-2H-isoindol-2-yl}-4-(trifluoromethyl)pyridazin-3(2H)-one, CITRIC ACID, ... | | Authors: | Swinger, K.K, Wigle, T.J, Kuntz, K.W. | | Deposit date: | 2020-03-16 | | Release date: | 2020-10-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | In Vitro and Cellular Probes to Study PARP Enzyme Target Engagement.
Cell Chem Biol, 27, 2020
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7Q6U
 | | Crystal structure of the bromodomain of ATAD2 with phenol HTS hit (cpd 6) | | Descriptor: | (1R,9S)-13-(3,5-dimethoxy-4-oxidanyl-phenyl)carbonyl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION | | Authors: | Patel, S.J, Winter-Holt, J.J. | | Deposit date: | 2021-11-09 | | Release date: | 2022-01-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models.
J.Med.Chem., 65, 2022
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6XCL
 | | Crystal Structure of human telomeric DNA G-quadruplex in complex with a novel platinum(II) complex. | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), POTASSIUM ION, ... | | Authors: | Miron, C.E, van Staalduinen, L.M, Jia, Z, Petitjean, A. | | Deposit date: | 2020-06-08 | | Release date: | 2020-11-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Going Platinum to the Tune of a Remarkable Guanine Quadruplex Binder: Solution- and Solid-State Investigations.
Angew.Chem.Int.Ed.Engl., 60, 2021
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1Y9H
 | | Methylation of cytosine at C5 in a CpG sequence context causes a conformational switch of a benzo[a]pyrene diol epoxide-N2-guanine adduct in DNA from a minor groove alignment to intercalation with base displacement | | Descriptor: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, 5'-D(*CP*CP*AP*TP*(5CM)P*(BPG)P*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3' | | Authors: | Zhang, N, Lin, C, Huang, X, Kolbanovskiy, A, Hingerty, B.E, Amin, S, Broyde, S, Geacintov, N.E, Patel, D.J. | | Deposit date: | 2004-12-15 | | Release date: | 2005-03-22 | | Last modified: | 2024-04-24 | | Method: | SOLUTION NMR | | Cite: | Methylation of cytosine at C5 in a CpG sequence context causes a conformational switch of a benzo[a]pyrene diol epoxide-N2-guanine adduct in DNA from a minor groove alignment to intercalation with base displacement.
J.Mol.Biol., 346, 2005
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9MFQ
 | | Cat DHX9 in Complex with Compound 10 and ADP | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Lockbaum, G.J, Lee, Y.-T, Sickmier, E.A, Boriack-Sjodin, P.A, Grigoriu, S. | | Deposit date: | 2024-12-10 | | Release date: | 2025-05-07 | | Last modified: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Discovery of ATX968: An Orally Available Allosteric Inhibitor of DHX9.
J.Med.Chem., 68, 2025
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263D
 | | ISOHELICITY AND PHASING IN DRUG-DNA SEQUENCE RECOGNITION: CRYSTAL STRUCTURE OF A TRIS(BENZIMIDAZOLE)-OLIGONUCLEOTIDE COMPLEX | | Descriptor: | 2''-(4-METHOXYPHENYL)-5-(3-AMINO-1-PYRROLIDINYL)-2,5',2',5''-TRI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3') | | Authors: | Clark, G.R, Gray, E.J, Neidle, S, Li, Y.-H, Leupin, W. | | Deposit date: | 1996-09-27 | | Release date: | 1996-10-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Isohelicity and phasing in drug--DNA sequence recognition: crystal structure of a tris(benzimidazole)--oligonucleotide complex.
Biochemistry, 35, 1996
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3NKB
 | | A 1.9A crystal structure of the HDV ribozyme precleavage suggests both Lewis acid and general acid mechanisms contribute to phosphodiester cleavage | | Descriptor: | DNA/RNA (5'-D(*(DUR))-D(*GP*G)-R(P*CP*UP*UP*GP*CP*A)-3'), MAGNESIUM ION, The hepatitis delta virus ribozyme | | Authors: | Chen, J.-H, Yajima, R, Chadalavada, D.M, Chase, E, Bevilacqua, P.C, Golden, B.L. | | Deposit date: | 2010-06-18 | | Release date: | 2010-09-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.916 Å) | | Cite: | A 1.9 A crystal structure of the HDV ribozyme precleavage suggests both Lewis acid and general acid mechanisms contribute to phosphodiester cleavage.
Biochemistry, 49, 2010
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1DCG
 | | THE MOLECULAR STRUCTURE OF THE LEFT-HANDED Z-DNA DOUBLE HELIX AT 1.0 ANGSTROM ATOMIC RESOLUTION. GEOMETRY, CONFORMATION, AND IONIC INTERACTIONS OF D(CGCGCG) | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), MAGNESIUM ION | | Authors: | Gessner, R.V, Frederick, C.A, Quigley, G.J, Rich, A, Wang, A.H.-J. | | Deposit date: | 1988-08-29 | | Release date: | 1989-01-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | The molecular structure of the left-handed Z-DNA double helix at 1.0-A atomic resolution. Geometry, conformation, and ionic interactions of d(CGCGCG).
J.Biol.Chem., 264, 1989
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8BZ5
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9VNX
 | | Crystal Structure of the mutant ROR gamma LBD With Compound 28 | | Descriptor: | (2~{R})-~{N}-[5-(5-cyano-6-propan-2-yloxy-pyridin-3-yl)-1-(trifluoromethyl)pyrazol-3-yl]-1-ethanoyl-4-propan-2-ylsulfonyl-piperazine-2-carboxamide, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Akai, S, Nomura, A, Yamaguchi, K, Adachi, T. | | Deposit date: | 2025-07-01 | | Release date: | 2025-07-30 | | Last modified: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | A Concise and Modular Approach to Generate Novel ROR gamma Agonists.
J.Med.Chem., 68, 2025
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7NAZ
 | | TPR-rich domain of EccA3 from M. smegmatis | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, ESX-3 secretion system protein EccA3, GLYCEROL, ... | | Authors: | Crosskey, T.D, Wilmanns, M. | | Deposit date: | 2021-01-25 | | Release date: | 2022-03-02 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of TPR-rich domain of M. smegmatis EccA3
To Be Published
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4W6T
 | | Crystal Structure of Full-Length Split GFP Mutant E115H/T118H With Copper Mediated Crystal Contacts, P 43 21 2 Space Group | | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, COPPER (II) ION, ... | | Authors: | Leibly, D.J, Waldo, G.S, Yeates, T.O. | | Deposit date: | 2014-08-20 | | Release date: | 2015-02-18 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.604 Å) | | Cite: | A Suite of Engineered GFP Molecules for Oligomeric Scaffolding.
Structure, 23, 2015
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8S6V
 | | Crystal structure of Fab-2D9 chimera complexed to a bis-Tn glycopeptide | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2D9 (VL-CL), ... | | Authors: | Hurtado-Guerrero, R, Macias-Leon, J, Gonzalez-Ramirez, A. | | Deposit date: | 2024-02-28 | | Release date: | 2025-06-25 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Recognizing Tn and STn Epitopes in Protein Context: Structural Advances in Phage Display Libraries for Tumor-Specific Antibody Discovery
Nat.Chem.Biol., 2025
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9OG7
 | | APO SARS-COV-2-6P-MUT7 S PROTEIN 1 RBD UP CONFORMATION | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Niu, L, Chandravanshi, M, Tolbert, W.D, Pazgier, M. | | Deposit date: | 2025-04-30 | | Release date: | 2025-10-01 | | Last modified: | 2025-10-29 | | Method: | ELECTRON MICROSCOPY (3.09 Å) | | Cite: | Optimization of VE607 to generate analogs with improved neutralization activities against SARS-CoV-2 variants.
J.Virol., 2025
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