8UQY
 
 | | Round 18 Arylesterase Variant of Phosphotriesterase Bound to Europium(III) Measured at 9.5 keV | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, EUROPIUM (III) ION, ... | | Authors: | Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J. | | Deposit date: | 2023-10-25 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase.
Acta Crystallogr D Struct Biol, 80, 2024
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7H6U
 | | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1216833237 (CHIKV_MacB-x0353) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-26 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
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4ZTT
 | | Crystal structures of ferritin mutants reveal diferric-peroxo intermediates | | Descriptor: | FE (II) ION, FE (III) ION, GLYCEROL, ... | | Authors: | Kim, S, Park, Y.H, Jung, S.W, Seok, J.H, Chung, Y.B, Lee, D.B, Gowda, G, Lee, J.H, Han, H.R, Cho, A.E, Lee, C, Chung, M.S, Kim, K.H. | | Deposit date: | 2015-05-15 | | Release date: | 2016-06-15 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structural Basis of Novel Iron-Uptake Route and Reaction Intermediates in Ferritins from Gram-Negative Bacteria.
J. Mol. Biol., 428, 2016
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6V0Q
 | | Crystal structure of the bromodomain of human BRD7 bound to TG003 | | Descriptor: | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 7, ... | | Authors: | Karim, M.R, Chan, A, Schonbrunn, E. | | Deposit date: | 2019-11-19 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
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8UUW
 | | SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12145 | | Descriptor: | 5-[2-(dimethylamino)ethoxy]-2-methyl-N-{(1R)-1-[(3P,5M)-3-(1-methyl-1H-pyrazol-4-yl)-5-(1,3-thiazol-5-yl)phenyl]ethyl}benzamide, ACETATE ION, CHLORIDE ION, ... | | Authors: | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | | Deposit date: | 2023-11-02 | | Release date: | 2024-04-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
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8UZ5
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1HIO
 | | HISTONE OCTAMER (CHICKEN), CHROMOSOMAL PROTEIN, ALPHA CARBONS ONLY | | Descriptor: | HISTONE H2A, HISTONE H2B, HISTONE H3, ... | | Authors: | Arents, G, Moudrianakis, E.N. | | Deposit date: | 1991-09-19 | | Release date: | 1998-11-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The nucleosomal core histone octamer at 3.1 A resolution: a tripartite protein assembly and a left-handed superhelix.
Proc.Natl.Acad.Sci.USA, 88, 1991
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7QSH
 | | 23S ribosomal RNA Sarcin Ricin Loop 27-nt fragment containing a Xanthosine residue at position 2648 | | Descriptor: | 23S ribosomal RNA Sarcin Ricin Loop 27-nucleotide fragment, 9-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]-2-oxidanyl-1~{H}-purin-6-one, GLYCEROL, ... | | Authors: | Ennifar, E, Micura, R. | | Deposit date: | 2022-01-13 | | Release date: | 2023-01-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (0.86 Å) | | Cite: | Towards a comprehensive understanding of RNA deamination: synthesis and properties of xanthosine-modified RNA.
Nucleic Acids Res., 50, 2022
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7QUA
 | | Duplex RNA containing Xanthosine-Cytosine base pairs | | Descriptor: | MAGNESIUM ION, RNA (5'-R(*CP*GP*CP*GP*(XAN)P*AP*UP*UP*AP*GP*CP*G)-3'), SODIUM ION | | Authors: | Ennifar, E, Micura, R. | | Deposit date: | 2022-01-17 | | Release date: | 2023-01-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Towards a comprehensive understanding of RNA deamination: synthesis and properties of xanthosine-modified RNA.
Nucleic Acids Res., 50, 2022
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6V8A
 | | Human CtBP1 (28-375) in complex with AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, C-terminal-binding protein 1, CALCIUM ION, ... | | Authors: | Royer, W.E. | | Deposit date: | 2019-12-10 | | Release date: | 2021-02-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | NAD(H) phosphates mediate tetramer assembly of human C-terminal binding protein (CtBP).
J.Biol.Chem., 296, 2021
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8UKY
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3H1I
 | | Stigmatellin and antimycin bound cytochrome bc1 complex from chicken | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-METHYL-BUTYRIC ACID 3-(3-FORMYLAMINO-2-HYDROXY-BENZOYLAMINO)-8-HEPTYL-2,6-DIMETHYL-4,9-DIOXO-[1,5]DIOXONAN-7-YL ESTER, CARDIOLIPIN, ... | | Authors: | Zhang, Z, Huang, L, Shulmeister, V.M, Chi, Y.I, Kim, K.K, Hung, L.W, Crofts, A.R, Berry, E.A, Kim, S.H. | | Deposit date: | 2009-04-12 | | Release date: | 2009-04-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.53 Å) | | Cite: | Electron Transfer by Domain Movement in Cytochrome Bc1
Nature, 392, 1998
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8V83
 | | 60S ribosome biogenesis intermediate (Dbp10 pre-catalytic structure - Overall map) | | Descriptor: | 25S rRNA (cytosine(2870)-C(5))-methyltransferase, 60S ribosomal protein L13-A, 60S ribosomal protein L14-A, ... | | Authors: | Cruz, V.E, Weirich, C.S, Peddada, N, Erzberger, J.P. | | Deposit date: | 2023-12-04 | | Release date: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.53 Å) | | Cite: | The DEAD-box ATPase Dbp10/DDX54 initiates peptidyl transferase center formation during 60S ribosome biogenesis.
Nat Commun, 15, 2024
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4QGY
 | | Camelid (llama) nanobody n25 (VHH) against type 6 secretion system TssM protein | | Descriptor: | nanobody n25, VH domain | | Authors: | Nguyen, V.S, Desmyter, A, Le, T.T.H, Durand, E, Kellenberger, C, Douzi, B, Spinelli, S, Cascales, E, Cambillau, C, Roussel, A. | | Deposit date: | 2014-05-26 | | Release date: | 2015-04-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Inhibition of Type VI Secretion by an Anti-TssM Llama Nanobody.
Plos One, 10, 2015
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8V84
 | | 60S ribosome biogenesis intermediate (Dbp10 catalytic structure - Overall map) | | Descriptor: | 25S rRNA (cytosine(2870)-C(5))-methyltransferase, 60S ribosomal protein L13-A, 60S ribosomal protein L14-A, ... | | Authors: | Cruz, V.E, Weirich, C.S, Peddada, N, Erzberger, J.P. | | Deposit date: | 2023-12-04 | | Release date: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | The DEAD-box ATPase Dbp10/DDX54 initiates peptidyl transferase center formation during 60S ribosome biogenesis.
Nat Commun, 15, 2024
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8E7O
 | | CRYSTAL STRUCTURE OF LYS48-LINKED TETRAUBIQUITIN | | Descriptor: | SULFATE ION, Ubiquitin | | Authors: | Lemma, B.E, Fushman, D. | | Deposit date: | 2022-08-24 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mechanism of selective recognition of Lys48-linked polyubiquitin by macrocyclic peptide inhibitors of proteasomal degradation.
Nat Commun, 14, 2023
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5F2Z
 | | Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with palmitate - P21 space group | | Descriptor: | PALMITIC ACID, Phosphatidylinositol mannoside acyltransferase | | Authors: | Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E. | | Deposit date: | 2015-12-02 | | Release date: | 2016-03-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA.
Nat Commun, 7, 2016
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4XAX
 | | Crystal structure of Thermus thermophilus CarD in complex with the Thermus aquaticus RNA polymerase beta1 domain | | Descriptor: | 1,2-ETHANEDIOL, CarD, DNA-directed RNA polymerase subunit beta domain 1 | | Authors: | Chen, J, Bae, B, Campbell, E.A, Darst, S.A. | | Deposit date: | 2014-12-15 | | Release date: | 2015-09-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.404 Å) | | Cite: | CarD uses a minor groove wedge mechanism to stabilize the RNA polymerase open promoter complex.
Elife, 4, 2015
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6EGS
 | | Crystal structure of the GalNAc-T2 F104S mutant in complex with UDP-GalNAc | | Descriptor: | MANGANESE (II) ION, Polypeptide N-acetylgalactosaminyltransferase 2, URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE | | Authors: | de las Rivas, M, Coelho, H, Diniz, A, Lira-Navarrete, E, Jimenez-Barbero, J, Schjoldager, K.T, Bennett, E.P, Vakhrushev, S.Y, Clausen, H, Corzana, F, Marcelo, F, Hurtado-Guerrero, R. | | Deposit date: | 2017-09-12 | | Release date: | 2018-04-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Analysis of a GalNAc-T2 Mutant Reveals an Induced-Fit Catalytic Mechanism for GalNAc-Ts.
Chemistry, 24, 2018
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5I75
 | | X-ray structure of the ts3 human serotonin transporter complexed with s-citalopram at the central site and Br-citalopram at the allosteric site | | Descriptor: | (1S)-1-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile, (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Coleman, J.A, Green, E.M, Gouaux, E. | | Deposit date: | 2016-02-16 | | Release date: | 2016-04-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.49 Å) | | Cite: | X-ray structures and mechanism of the human serotonin transporter.
Nature, 532, 2016
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1DIZ
 | | CRYSTAL STRUCTURE OF E. COLI 3-METHYLADENINE DNA GLYCOSYLASE (ALKA) COMPLEXED WITH DNA | | Descriptor: | 3-METHYLADENINE DNA GLYCOSYLASE II, DNA (5'-D(*GP*AP*CP*AP*TP*GP*AP*(NRI)P*TP*GP*CP*CP*T)-3'), DNA (5'-D(*GP*GP*CP*AP*AP*TP*CP*AP*TP*GP*TP*CP*A)-3'), ... | | Authors: | Hollis, T, Ichikawa, Y, Ellenberger, T.E. | | Deposit date: | 1999-11-30 | | Release date: | 2000-03-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | DNA bending and a flip-out mechanism for base excision by the helix-hairpin-helix DNA glycosylase, Escherichia coli AlkA.
EMBO J., 19, 2000
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6UXY
 | | PRMT5:MEP50 Complexed with Allosteric Inhibitor Compound 8 | | Descriptor: | (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one, 1,2-ETHANEDIOL, GLYCEROL, ... | | Authors: | Palte, R.L, Schneider, S.E. | | Deposit date: | 2019-11-08 | | Release date: | 2020-08-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Allosteric Modulation of Protein Arginine Methyltransferase 5 (PRMT5).
Acs Med.Chem.Lett., 11, 2020
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8V87
 | | 60S ribosome biogenesis intermediate (Dbp10 post-catalytic structure - Overall map) | | Descriptor: | 25S rRNA (cytosine(2870)-C(5))-methyltransferase, 25S ribosomal RNA, 27S pre-rRNA (guanosine(2922)-2'-O)-methyltransferase, ... | | Authors: | Cruz, V.E, Weirich, C.S, Peddada, N, Erzberger, J.P. | | Deposit date: | 2023-12-04 | | Release date: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | The DEAD-box ATPase Dbp10/DDX54 initiates peptidyl transferase center formation during 60S ribosome biogenesis.
Nat Commun, 15, 2024
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5ID4
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8J9F
 | | Structure of STG-hydrolyzing beta-glucosidase 1 (PSTG1) | | Descriptor: | Beta-glucosidase, GLYCEROL | | Authors: | Yanai, T, Imaizumi, R, Takahashi, Y, Katsumura, E, Yamamoto, M, Nakayama, T, Yamashita, S, Takeshita, K, Sakai, N, Matsuura, H. | | Deposit date: | 2023-05-03 | | Release date: | 2024-04-10 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural insights into a bacterial beta-glucosidase capable of degrading sesaminol triglucoside to produce sesaminol: toward the understanding of the aglycone recognition mechanism by the C-terminal lid domain.
J.Biochem., 174, 2023
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