8F4V
 
 | | Alpha7 nicotinic acetylcholine receptor intracellular and transmembrane domains bound to ivermectin in a desensitized state | | Descriptor: | (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, Neuronal acetylcholine receptor subunit alpha-7 | | Authors: | Bondarenko, V, Chen, Q, Tang, P. | | Deposit date: | 2022-11-11 | | Release date: | 2023-02-22 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Elucidation of Ivermectin Binding to alpha 7nAChR and the Induced Channel Desensitization.
Acs Chem Neurosci, 14, 2023
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1NBO
 | | The dual coenzyme specificity of photosynthetic glyceraldehyde-3-phosphate dehydrogenase interpreted by the crystal structure of A4 isoform complexed with NAD | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, glyceraldehyde-3-phosphate dehydrogenase A | | Authors: | Falini, G, Fermani, S, Ripamonti, A, Sabatino, P, Sparla, F, Pupillo, P, Trost, P. | | Deposit date: | 2002-12-03 | | Release date: | 2003-05-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Dual Coenzyme Specificity of Photosynthetic Glyceraldehyde-3-phosphate
Dehydrogenase Interpreted by the Crystal Structure of A(4) Isoform
Complexed with NAD
Biochemistry, 42, 2003
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7U38
 | | Pixantrone tethered DNA duplex | | Descriptor: | 1,2-ETHANEDIOL, Pixantrone AP conjugate-modified DNA | | Authors: | Pallan, P.S, Egli, M. | | Deposit date: | 2022-02-26 | | Release date: | 2023-03-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structural Characterization of a Covalent Conjugate between Pixantrone and an Abasic Site in DNA
To Be Published
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2J6U
 | | Ternary complex of Sulfolobus solfataricus Dpo4 DNA polymerase, O6- methylguanine modified DNA, and dGTP. | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*T)-3', 5'-D(*TP*CP*AP*C G32P*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', ... | | Authors: | Eoff, R.L, Irimia, A, Guengerich, F.P, Egli, M. | | Deposit date: | 2006-10-04 | | Release date: | 2006-11-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Sulfolobus Solfataricus DNA Polymerase Dpo4 is Partially Inhibited by "Wobble" Pairing between O6- Methylguanine and Cytosine, But Accurate Bypass is Preferred.
J.Biol.Chem., 282, 2007
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6R14
 | | Structure of kiteplatinated dsDNA | | Descriptor: | Kiteplatin, Kiteplatinated DNA oligomer, chain A, ... | | Authors: | Margiotta, N, Papadia, P, Kubicek, K, Krejcikova, M, Gkionis, K, Sponer, J. | | Deposit date: | 2019-03-13 | | Release date: | 2020-04-01 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural characterization of kiteplatinated DNA
To Be Published
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5EC5
 | | Crystal structure of lysenin pore | | Descriptor: | Lysenin, MERCURIBENZOIC ACID, MERCURY (II) ION | | Authors: | Podobnik, M, Savory, P, Rojko, N, Kisovec, M, Bruce, M, Jayasinghe, L, Anderluh, G. | | Deposit date: | 2015-10-20 | | Release date: | 2016-05-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal structure of an invertebrate cytolysin pore reveals unique properties and mechanism of assembly.
Nat Commun, 7, 2016
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1NF4
 | | X-Ray Structure of the Desulfovibrio desulfuricans bacterioferritin: the diiron site in different states (reduced structure) | | Descriptor: | 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, FE (II) ION, SULFATE ION, ... | | Authors: | Macedo, S, Romao, C.V, Mitchell, E, Matias, P.M, Liu, M.Y, Xavier, A.V, LeGall, J, Teixeira, M, Lindley, P, Carrondo, M.A. | | Deposit date: | 2002-12-13 | | Release date: | 2003-04-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The nature of the di-iron site in the bacterioferritin from
Desulfovibrio desulfuricans
NAT.STRUCT.BIOL., 10, 2003
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6I4Q
 | | Crystal structure of the human dihydrolipoamide dehydrogenase at 1.75 Angstrom resolution | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, mitochondrial, ... | | Authors: | Nagy, B, Szabo, E, Wilk, P, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A. | | Deposit date: | 2018-11-10 | | Release date: | 2019-11-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Underlying molecular alterations in human dihydrolipoamide dehydrogenase deficiency revealed by structural analyses of disease-causing enzyme variants.
Hum.Mol.Genet., 28, 2019
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8F8E
 | | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-8268 compound | | Descriptor: | (3P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-3-(4-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide, CITRIC ACID, DDB1- and CUL4-associated factor 1 | | Authors: | Kimani, S, Li, A, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Wilson, B, Al-Awar, R, Vedadi, M, Brown, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-11-21 | | Release date: | 2023-03-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-8268 compound
To be published
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170D
 | | SOLUTION STRUCTURE OF A DNA DODECAMER CONTAINING THE ANTI-NEOPLASTIC AGENT ARABINOSYLCYTOSINE: COMBINED USE OF NMR, RESTRAINED MOLECULAR DYNAMICS AND FULL RELAXATION MATRIX REFINEMENT | | Descriptor: | DNA/RNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*T)-R(P*CAR)-D(P*GP*CP*G)-3') | | Authors: | Schweitzer, B.I, Mikita, T, Kellogg, G.W, Gardner, K.H, Beardsley, G.P. | | Deposit date: | 1994-03-14 | | Release date: | 1994-07-31 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a DNA dodecamer containing the anti-neoplastic agent arabinosylcytosine: combined use of NMR, restrained molecular dynamics, and full relaxation matrix refinement.
Biochemistry, 33, 1994
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6U5H
 | | CryoEM Structure of Pyocin R2 - precontracted - hub | | Descriptor: | Probable bacteriophage protein Pyocin R2 | | Authors: | Ge, P, Avaylon, J, Scholl, D, Shneider, M.M, Browning, C, Buth, S.A, Plattner, M, Ding, K, Leiman, P.G, Miller, J.F, Zhou, Z.H. | | Deposit date: | 2019-08-27 | | Release date: | 2020-04-15 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Action of a minimal contractile bactericidal nanomachine.
Nature, 580, 2020
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5XF5
 | | Nucleosome core particle with an adduct of a binuclear RAPTA (Ru-arene-phosphaadamantane) compound having a 1,2-diphenylethylenediamine linker (R,S-configuration) | | Descriptor: | (1S,2R)-1,2-diphenylethane-1,2-diamine, DNA (145-MER), Histone H2A type 1-B/E, ... | | Authors: | Ma, Z, Adhireksan, Z, Murray, B.S, Dyson, P.J, Davey, C.A. | | Deposit date: | 2017-04-07 | | Release date: | 2017-10-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Nucleosome acidic patch-targeting binuclear ruthenium compounds induce aberrant chromatin condensation
Nat Commun, 8, 2017
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6D4D
 | | Crystal structure of the PTP epsilon D1 domain | | Descriptor: | Receptor-type tyrosine-protein phosphatase epsilon | | Authors: | Lountos, G.T, Raran-Kurussi, S, Zhao, B.M, Dyas, B.K, Austin, B.P, Burke Jr, T.R, Ulrich, R.G, Waugh, D.S. | | Deposit date: | 2018-04-18 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.765 Å) | | Cite: | High-resolution crystal structures of the D1 and D2 domains of protein tyrosine phosphatase epsilon for structure-based drug design.
Acta Crystallogr D Struct Biol, 74, 2018
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8K1L
 | | Cryo-EM structure of Na+,K+-ATPase alpha2 from Artemia salina in cation-free E2P form | | Descriptor: | Na+,K+-ATPase alpha2KK, Na+,K+-ATPase beta2, TETRAFLUOROALUMINATE ION | | Authors: | Abe, K, Artigas, P. | | Deposit date: | 2023-07-11 | | Release date: | 2023-11-29 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (3.44 Å) | | Cite: | A Na pump with reduced stoichiometry is up-regulated by brine shrimp in extreme salinities.
Proc.Natl.Acad.Sci.USA, 120, 2023
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6WJ5
 | | Structure of human TRPA1 in complex with inhibitor GDC-0334 | | Descriptor: | (4R,5S)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-N-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-L-prolinamide, Transient receptor potential cation channel subfamily A member 1 | | Authors: | Rohou, A, Rouge, L, Arthur, C.P, Volgraf, M, Chen, H. | | Deposit date: | 2020-04-11 | | Release date: | 2021-02-17 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | A TRPA1 inhibitor suppresses neurogenic inflammation and airway contraction for asthma treatment.
J.Exp.Med., 218, 2021
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8BHB
 | | GABA-A receptor a5 homomer - a5V3 - RO154513 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-5, ethyl 8-[(azanylidene-$l^{4}-azanylidene)amino]-5-methyl-6-oxidanylidene-4~{H}-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate | | Authors: | Miller, P.S, Malinauskas, T.M, Hardwick, S.W, Chirgadze, D.Y, Wahid, A.A. | | Deposit date: | 2022-10-30 | | Release date: | 2023-11-01 | | Last modified: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (2.54 Å) | | Cite: | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors.
Nat.Struct.Mol.Biol., 30, 2023
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7U42
 | | [F334] Self-assembling tensegrity triangle with three turns, three turns and four turns of DNA per axis by extension with P1 symmetry | | Descriptor: | DNA (31-MER), DNA (35-MER), DNA (42-MER), ... | | Authors: | Woloszyn, K, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | | Deposit date: | 2022-02-28 | | Release date: | 2022-09-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (7.71 Å) | | Cite: | Augmented DNA Nanoarchitectures: A Structural Library of 3D Self-Assembling Tensegrity Triangle Variants.
Adv Mater, 34, 2022
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6DZ1
 | | Studies of Ion Transport in K+ Channels | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein | | Authors: | Langan, P.S, Vandavasi, V.G, Weiss, K.L, Wagner, A, Duman, R, El Omari, K, Afonine, P.V, Coates, L. | | Deposit date: | 2018-07-02 | | Release date: | 2018-11-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Anomalous X-ray diffraction studies of ion transport in K+channels.
Nat Commun, 9, 2018
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8F3B
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8KHQ
 | | Bifunctional sulfoxide synthase OvoA_Th2 in complex with histidine and cysteine | | Descriptor: | 5-histidylcysteine sulfoxide synthase/putative 4-mercaptohistidine N1-methyltranferase, COBALT (II) ION, CYSTEINE, ... | | Authors: | Wang, J, Ye, K, Wang, X.Y, Yan, W.P. | | Deposit date: | 2023-08-22 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Biochemical and Structural Characterization of OvoA Th2 : A Mononuclear Nonheme Iron Enzyme from Hydrogenimonas thermophila for Ovothiol Biosynthesis.
Acs Catalysis, 13, 2023
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7U3Q
 | | [4T7] Self-assembling tensegrity triangle with four turns of DNA per axis with R3 symmetry | | Descriptor: | DNA (29-MER), DNA (42-MER), DNA (5'-D(P*AP*CP*A)-3'), ... | | Authors: | Woloszyn, K, Vecchioni, S, Lu, B, Ma, Y, Seeman, N.C, Sha, R, Ohayon, Y.P, Huang, Q. | | Deposit date: | 2022-02-28 | | Release date: | 2022-09-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (9.32 Å) | | Cite: | Augmented DNA Nanoarchitectures: A Structural Library of 3D Self-Assembling Tensegrity Triangle Variants.
Adv Mater, 34, 2022
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8OLL
 | | Staphylococcus aureus ClpP in complex with the natural product beta-lactone inhibitor Cystargolide A at 2.7 A resolution | | Descriptor: | ATP-dependent Clp protease proteolytic subunit, Cystargolide A (bound) | | Authors: | Illigmann, A, Vielberg, M.-T, Lakemeyer, M, Wolf, F, Staudt, N, Dema, T, Stange, P, Malik, I, Grond, S, Sieber, S.A, Groll, M, Kaysser, L, Broetz-Oesterhelt, H. | | Deposit date: | 2023-03-30 | | Release date: | 2023-12-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of Staphylococcus aureus ClpP Bound to the Covalent Active-Site Inhibitor Cystargolide A.
Angew.Chem.Int.Ed.Engl., 63, 2024
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5DT7
 | | Crystal structure of the GH1 beta-glucosidase from Exiguobacterium antarcticum B7 in space group C2221 | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Beta-glucosidase, GLYCEROL, ... | | Authors: | Zanphorlin, L.M, Giuseppe, P.O, Tonoli, C.C.C, Murakami, M.T. | | Deposit date: | 2015-09-17 | | Release date: | 2016-04-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Oligomerization as a strategy for cold adaptation: Structure and dynamics of the GH1 beta-glucosidase from Exiguobacterium antarcticum B7.
Sci Rep, 6, 2016
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8OLR
 | | Structure of yeast 20S proteasome in complex with the natural product beta-lactone inhibitor Cystargolide A | | Descriptor: | CHLORIDE ION, Cystargolide A (bound), MAGNESIUM ION, ... | | Authors: | Illigmann, A, Vielberg, M.-T, Lakemeyer, M, Wolf, F, Staudt, N, Dema, T, Stange, P, Malik, I, Grond, S, Sieber, S.A, Groll, M, Kaysser, L, Broetz-Oesterhelt, H. | | Deposit date: | 2023-03-30 | | Release date: | 2023-12-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of Staphylococcus aureus ClpP Bound to the Covalent Active-Site Inhibitor Cystargolide A.
Angew.Chem.Int.Ed.Engl., 63, 2024
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1ACB
 | | CRYSTAL AND MOLECULAR STRUCTURE OF THE BOVINE ALPHA-CHYMOTRYPSIN-EGLIN C COMPLEX AT 2.0 ANGSTROMS RESOLUTION | | Descriptor: | ALPHA-CHYMOTRYPSIN, Eglin C | | Authors: | Bolognesi, M, Frigerio, F, Coda, A, Pugliese, L, Lionetti, C, Menegatti, E, Amiconi, G, Schnebli, H.P, Ascenzi, P. | | Deposit date: | 1991-11-08 | | Release date: | 1993-10-31 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal and molecular structure of the bovine alpha-chymotrypsin-eglin c complex at 2.0 A resolution.
J.Mol.Biol., 225, 1992
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