8T2S
 
 | | Structure of a group II intron ribonucleoprotein in the pre-branching (pre-1F) state | | Descriptor: | AMMONIUM ION, CALCIUM ION, Group II intron reverse transcriptase/maturase, ... | | Authors: | Xu, L, Liu, T, Chung, K, Pyle, A.M. | | Deposit date: | 2023-06-06 | | Release date: | 2023-11-22 | | Last modified: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural insights into intron catalysis and dynamics during splicing.
Nature, 624, 2023
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3N38
 | | Ribonucleotide Reductase NrdF from Escherichia coli Soaked with Ferrous Ions | | Descriptor: | FE (II) ION, Ribonucleoside-diphosphate reductase 2 subunit beta | | Authors: | Boal, A.K, Cotruvo Jr, J.A, Stubbe, J, Rosenzweig, A.C. | | Deposit date: | 2010-05-19 | | Release date: | 2010-08-18 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for activation of class Ib ribonucleotide reductase.
Science, 329, 2010
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6T2Q
 | | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Glycosyl hydrolase family 16, ... | | Authors: | Crouch, L.I, Liberato, M.V, Ubranowicz, P.A, Basle, A, Lamb, C.A, Cooke, K, Doona, M, Needham, S, Brady, R.R, Berrington, J.E, Madubic, K, Chater, P, Zhang, F, Linhardt, R.J, Spence, D.I.R, Bolam, D.N. | | Deposit date: | 2019-10-09 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown.
Nat Commun, 11, 2020
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6TD7
 | | Structure of truncated hemoglobin THB11 from Chlamydomonas reinhardtii | | Descriptor: | CYANIDE ION, PROTOPORPHYRIN IX CONTAINING FE, THB11 | | Authors: | Huwald, D, Gasper, R, Hemschemeier, A, Hofmann, E. | | Deposit date: | 2019-11-08 | | Release date: | 2020-02-26 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Distinctive structural properties of THB11, a pentacoordinate Chlamydomonas reinhardtii truncated hemoglobin with N- and C-terminal extensions.
J.Biol.Inorg.Chem., 25, 2020
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3K2S
 | | Solution structure of double super helix model | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Apolipoprotein A-I, CHOLESTEROL | | Authors: | Wu, Z, Gogonea, V, Lee, X, Wagner, M.A, Li, X.-M, Huang, Y, Undurti, A, May, R.P, Haertlein, M, Moulin, M, Gutsche, I, Zaccai, G, Didonato, J.A, Hazen, L.S. | | Deposit date: | 2009-09-30 | | Release date: | 2010-04-07 | | Last modified: | 2024-02-21 | | Method: | SOLUTION SCATTERING | | Cite: | Double superhelix model of high density lipoprotein.
J.Biol.Chem., 284, 2009
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4Z53
 | | Quinolone(Trovafloxacin)-DNA cleavage complex of topoisomerase IV from S. pneumoniae | | Descriptor: | DNA topoisomerase 4 subunit B,DNA topoisomerase 4 subunit A, E-site DNA, MAGNESIUM ION, ... | | Authors: | Laponogov, I, Veselkov, D.A, Pan, X.-S, Selvarajah, J, Crevel, I.M.-T, Fisher, L.M, Sanderson, M.R. | | Deposit date: | 2015-04-02 | | Release date: | 2016-09-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.26 Å) | | Cite: | Structural studies of the drug-stabilized cleavage complexes of topoisomerase IV and gyrase from Streptococcus pneumoniae
To Be Published
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5HBE
 | | CDK8-CYCC IN COMPLEX WITH 8-[3-Chloro-5-(1-methyl-2,2-dioxo-2, 3-dihydro-1H-2l6-benzo[c]isothiazol-5-yl)-pyridin- 4-yl]-1-oxa-3,8-diaza-spiro[4.5]decan-2-one | | Descriptor: | 1,2-ETHANEDIOL, 8-[3-chloranyl-5-[1-methyl-2,2-bis(oxidanylidene)-3~{H}-2,1-benzothiazol-5-yl]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one, Cyclin-C, ... | | Authors: | Musil, D, Blagg, J, Mallinger, A. | | Deposit date: | 2015-12-31 | | Release date: | 2016-02-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19.
J.Med.Chem., 59, 2016
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6CPG
 | | Structure of dephosphorylated Aurora A (122-403) in complex with inhibiting monobody and AT9283 in an inactive conformation | | Descriptor: | 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea, Aurora kinase A, Monobody | | Authors: | Otten, R, Kutter, S, Zorba, A, Padua, R.A.P, Koide, A, Koide, S, Kern, D. | | Deposit date: | 2018-03-13 | | Release date: | 2018-06-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Dynamics of human protein kinase Aurora A linked to drug selectivity.
Elife, 7, 2018
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6FMN
 | | tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 6-amino-2-((((2R,3S,4R,5R)-3,4-dihydroxy-5-methoxytetrahydrofuran-2-yl)methyl)amino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | | Descriptor: | 6-azanyl-2-[[(2~{R},3~{S},4~{R},5~{R})-5-methoxy-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one, CHLORIDE ION, GLYCEROL, ... | | Authors: | Nguyen, A, Heine, A, Klebe, G. | | Deposit date: | 2018-02-01 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Sugar Acetonides are a Superior Motif for Addressing the Large, Solvent-Exposed Ribose-33 Pocket of tRNA-Guanine Transglycosylase.
Chemistry, 24, 2018
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3MTU
 | | Structure of the Tropomyosin Overlap Complex from Chicken Smooth Muscle | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Capsid assembly scaffolding protein,Tropomyosin alpha-1 chain, ... | | Authors: | Klenchin, V.A, Frye, J, Rayment, I. | | Deposit date: | 2010-04-30 | | Release date: | 2010-06-23 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the tropomyosin overlap complex from chicken smooth muscle: insight into the diversity of N-terminal recognition .
Biochemistry, 49, 2010
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6XC7
 | | Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies CC12.3 and CR3022 | | Descriptor: | CC12.3 heavy chain, CC12.3 light chain, CR3022 heavy chain, ... | | Authors: | Yuan, M, Liu, H, Wu, N.C, Zhu, X, Wilson, I.A. | | Deposit date: | 2020-06-08 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.883 Å) | | Cite: | Structural basis of a shared antibody response to SARS-CoV-2.
Science, 369, 2020
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6MYV
 | | Sialidase26 co-crystallized with DANA-Gc | | Descriptor: | 2,6-anhydro-3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-L-altro-non-2-enonic acid, Sialidase26 | | Authors: | Zaramela, L.S, Martino, C, Alisson-Silva, F, Rees, S.D, Diaz, S.L, Chuzel, L, Ganatra, M.B, Taron, C.H, Zuniga, C, Huang, J, Siegel, D, Chang, G, Varki, A, Zengler, K. | | Deposit date: | 2018-11-02 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Gut bacteria responding to dietary change encode sialidases that exhibit preference for red meat-associated carbohydrates.
Nat Microbiol, 4, 2019
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6G29
 | | X-ray structure of NSD3-PWWP1 in complex with compound 6 | | Descriptor: | 5-methyl-2-piperidin-4-yl-6-pyridin-4-yl-pyridazin-3-one, Histone-lysine N-methyltransferase NSD3 | | Authors: | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | | Deposit date: | 2018-03-22 | | Release date: | 2019-06-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
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6G2E
 | | X-ray structure of NSD3-PWWP1 in complex with compound 13 | | Descriptor: | Histone-lysine N-methyltransferase NSD3, [3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)phenyl]methanamine | | Authors: | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | | Deposit date: | 2018-03-23 | | Release date: | 2019-06-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
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7TAP
 | | Cryo-EM structure of archazolid A bound to yeast VO V-ATPase | | Descriptor: | Archazolid A, V-type proton ATPase subunit a, vacuolar isoform, ... | | Authors: | Keon, K.A, Rubinstein, J.L, Benlekbir, S, Kirsch, S.H, Muller, R. | | Deposit date: | 2021-12-21 | | Release date: | 2022-02-23 | | Last modified: | 2022-03-30 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Cryo-EM of the Yeast V O Complex Reveals Distinct Binding Sites for Macrolide V-ATPase Inhibitors.
Acs Chem.Biol., 17, 2022
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8TDO
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7QWT
 | | Rieske non-heme iron monooxygenase for guaiacol O-demethylation | | Descriptor: | FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, Rieske (2Fe-2S) domain protein | | Authors: | Hinchen, D.J, Zahn, M, Bleem, A, Beckham, G.T, McGeehan, J.E. | | Deposit date: | 2022-01-25 | | Release date: | 2022-06-01 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.712 Å) | | Cite: | Discovery, characterization, and metabolic engineering of Rieske non-heme iron monooxygenases for guaiacol O-demethylation
Chem Catal, 2022
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6TA4
 | | Human kinesin-5 motor domain in the AMPPNP state bound to microtubules | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF11, MAGNESIUM ION, ... | | Authors: | Pena, A.P, Sweeney, A, Cook, A.D, Moores, C.A, Topf, M. | | Deposit date: | 2019-10-29 | | Release date: | 2020-03-04 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (6.1 Å) | | Cite: | Structure of Microtubule-Trapped Human Kinesin-5 and Its Mechanism of Inhibition Revealed Using Cryoelectron Microscopy.
Structure, 28, 2020
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8A82
 | | Fe(II)/aKG-dependent halogenase OocPQ | | Descriptor: | Cupin_8 domain-containing protein, FE (III) ION, GLYCEROL, ... | | Authors: | Fraley, A.E, Meoded, R.A, Schmalhofer, M, Bergande, C, Groll, M, Piel, J. | | Deposit date: | 2022-06-21 | | Release date: | 2023-03-08 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Heterocomplex structure of a polyketide synthase component involved in modular backbone halogenation.
Structure, 31, 2023
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8TDN
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4RT6
 | | Structure of a complex between hemopexin and hemopexin binding protein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heme/hemopexin-binding protein, Hemopexin | | Authors: | Zambolin, S, Clantin, B, Haouz, A, Villeret, V, Delepelaire, P. | | Deposit date: | 2014-11-13 | | Release date: | 2016-05-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for haem piracy from host haemopexin by Haemophilus influenzae.
Nat Commun, 7, 2016
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7ZHC
 | | Moss spermine/spermidine acetyl transferase (PpSSAT) in complex with AcetylCoA and polyethylen glycol | | Descriptor: | ACETYL COENZYME *A, GLYCEROL, N-acetyltransferase domain-containing protein, ... | | Authors: | Morera, S, Kopecny, D, Vigouroux, A. | | Deposit date: | 2022-04-06 | | Release date: | 2023-03-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.819 Å) | | Cite: | Biochemical and structural basis of polyamine, lysine and ornithine acetylation catalyzed by spermine/spermidine N-acetyl transferase in moss and maize.
Plant J., 114, 2023
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6THX
 | | IRAK4 in complex with inhibitor | | Descriptor: | 2-[4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]ethanenitrile, Interleukin-1 receptor-associated kinase 4 | | Authors: | Xue, Y, Aagaard, A, Degorce, S.L. | | Deposit date: | 2019-11-21 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Improving metabolic stability and removing aldehyde oxidase liability in a 5-azaquinazoline series of IRAK4 inhibitors.
Bioorg.Med.Chem., 28, 2020
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6CGL
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3MXP
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS T62A at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Caro, J.A, Schlessman, J.L, Garcia-Moreno, E.B, Heroux, A. | | Deposit date: | 2010-05-07 | | Release date: | 2011-03-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Cavities determine the pressure unfolding of proteins.
Proc.Natl.Acad.Sci.USA, 109, 2012
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