6PTT
 
 | | Soluble model of Arabidopsis thaliana CuA (Tt3LAt) | | Descriptor: | Cytochrome c oxidase subunit 2, DINUCLEAR COPPER ION | | Authors: | Lisa, M.N, Giannini, E, Llases, M.E, Alzari, P.M, Vila, A.J. | | Deposit date: | 2019-07-16 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Unexpected electron spin density on the axial methionine ligand in CuAsuggests its involvement in electron pathways.
Chem.Commun.(Camb.), 56, 2020
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4WTD
 | | CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS AND DELTA8 BETA HAIRPIN LOOP DELETION IN COMPLEX WITH ADP, MN2+ AND SYMMETRICAL PRIMER TEMPLATE 5'-AUAAAUUU | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MANGANESE (II) ION, ... | | Authors: | Edwards, T.E, Fox III, D, Appleby, T.C. | | Deposit date: | 2014-10-29 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for RNA replication by the hepatitis C virus polymerase.
Science, 347, 2015
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5WHV
 | | Crystal structure of ArtB | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ArtB protein, CALCIUM ION, ... | | Authors: | Gao, X, Galan, J.E. | | Deposit date: | 2017-07-18 | | Release date: | 2017-10-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.303 Å) | | Cite: | Evolution of host adaptation in the Salmonella typhoid toxin.
Nat Microbiol, 2, 2017
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5NC9
 | | Crystal structure of the polysaccharide deacetylase Bc1974 from Bacillus cereus in complex with (2S)-2,6-diamino-N-hydroxyhexanamide | | Descriptor: | (2~{S})-2,6-bis(azanyl)-~{N}-oxidanyl-hexanamide, 1,2-ETHANEDIOL, CITRIC ACID, ... | | Authors: | Giastas, P, Andreou, A, Eliopoulos, E.E. | | Deposit date: | 2017-03-03 | | Release date: | 2018-02-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Structures of the Peptidoglycan N-Acetylglucosamine Deacetylase Bc1974 and Its Complexes with Zinc Metalloenzyme Inhibitors.
Biochemistry, 57, 2018
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4WT9
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4WTA
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4WTC
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4WTE
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4WTG
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4WTI
 | | CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS IN COMPLEX WITH RNA TEMPLATE 5'-ACGG, RNA PRIMER 5'-PCC, MN2+, AND GDP | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Edwards, T.E, Appleby, T.C. | | Deposit date: | 2014-10-30 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for RNA replication by the hepatitis C virus polymerase.
Science, 347, 2015
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4WTK
 | | CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS IN COMPLEX WITH RNA TEMPLATE 5'-AGCC, RNA PRIMER 5'-PGG, MN2+, AND CDP | | Descriptor: | 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Edwards, T.E, Appleby, T.C. | | Deposit date: | 2014-10-30 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for RNA replication by the hepatitis C virus polymerase.
Science, 347, 2015
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4WTL
 | | CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS IN COMPLEX WITH RNA TEMPLATE 5'-UACC, RNA PRIMER 5'-PGG, MN2+, AND UDP | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Edwards, T.E, Appleby, T.C. | | Deposit date: | 2014-10-30 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for RNA replication by the hepatitis C virus polymerase.
Science, 347, 2015
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4WU8
 | | Structure of trPtNAP-NCP145 | | Descriptor: | DNA (145-MER), Histone H2A type 1, Histone H2B 1.1, ... | | Authors: | Chua, E.Y.D, Davey, C.A. | | Deposit date: | 2014-10-31 | | Release date: | 2015-09-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Stereochemical control of nucleosome targeting by platinum-intercalator antitumor agents.
Nucleic Acids Res., 43, 2015
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8RND
 | | Cathepsin S in complex with NNPI-C10 inhibitor | | Descriptor: | 1,2-ETHANEDIOL, Cathepsin S, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Petruzzella, A, Lau, K, Pojer, F, Oricchio, E. | | Deposit date: | 2024-01-09 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Antibody-peptide conjugates deliver covalent inhibitors blocking oncogenic cathepsins.
Nat.Chem.Biol., 2024
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8RIY
 | | Human NUDT5 with ibrutinib derivative | | Descriptor: | 1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine, ADP-sugar pyrophosphatase | | Authors: | Balikci-Akil, E, Elkins, J.M, Huber, K.V.M. | | Deposit date: | 2023-12-19 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.288 Å) | | Cite: | Unexpected Noncovalent Off-Target Activity of Clinical BTK Inhibitors Leads to Discovery of a Dual NUDT5/14 Antagonist.
J.Med.Chem., 67, 2024
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4WEU
 | | Co-complex structure of the F4 fimbrial adhesin FaeG variant ad with llama single domain antibody V3 | | Descriptor: | Anti-F4+ETEC bacteria VHH variable region, K88 fimbrial protein AD | | Authors: | Moonens, K, Van den Broeck, I, Pardon, E, De Kerpel, M, Remaut, H, De Greve, H. | | Deposit date: | 2014-09-11 | | Release date: | 2015-02-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Structural insight in the inhibition of adherence of F4 fimbriae producing enterotoxigenic Escherichia coli by llama single domain antibodies.
Vet. Res., 46, 2015
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1AS6
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4WF1
 | | Crystal structure of the E. coli ribosome bound to negamycin. | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Olivier, N.B, Altman, R.B, Noeske, J, Basarab, G.S, Code, E, Ferguson, A.D, Gao, N, Huang, J, Juette, M.F, Livchak, S, Miller, M.D, Prince, D.B, Cate, J.H.D, Buurman, E.T, Blanchard, S.C. | | Deposit date: | 2014-09-11 | | Release date: | 2014-11-05 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.09 Å) | | Cite: | Negamycin induces translational stalling and miscoding by binding to the small subunit head domain of the Escherichia coli ribosome.
Proc.Natl.Acad.Sci.USA, 111, 2014
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6SRI
 | | Structure of the Fanconi anaemia core complex | | Descriptor: | Fanconi anaemia protein FANCL, Unassigned secondary structure elements (base region, proposed FANCC-FANC-E-FANCF), ... | | Authors: | Shakeel, S, Rajendra, E, Alcon, P, He, S, Scheres, S.H.W, Passmore, L.A. | | Deposit date: | 2019-09-05 | | Release date: | 2019-11-06 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structure of the Fanconi anaemia monoubiquitin ligase complex.
Nature, 575, 2019
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7AQJ
 | | Structure of SARS-CoV-2 Main Protease bound to Triglycidyl isocyanurate. | | Descriptor: | 1-[(2~{R})-2-oxidanylpropyl]-3-[[(2~{R})-oxiran-2-yl]methyl]-5-[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione, 3C-like proteinase, Triglycidyl isocyanurate | | Authors: | Ewert, W, Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | Deposit date: | 2020-10-22 | | Release date: | 2020-12-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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4WTJ
 | | CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS IN COMPLEX WITH RNA TEMPLATE 5'-AUCC, RNA PRIMER 5'-PGG, MN2+, AND ADP | | Descriptor: | 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Edwards, T.E, Appleby, T.C. | | Deposit date: | 2014-10-30 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for RNA replication by the hepatitis C virus polymerase.
Science, 347, 2015
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4WTM
 | | CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS IN COMPLEX WITH RNA TEMPLATE 5'-UAGG, RNA PRIMER 5'-PCC, MN2+, AND UDP | | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, RNA PRIMER CC, ... | | Authors: | Edwards, T.E, Appleby, T.C, Fox III, D. | | Deposit date: | 2014-10-30 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural basis for RNA replication by the hepatitis C virus polymerase.
Science, 347, 2015
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5EG0
 | | HOXB13-MEIS1 heterodimer bound to DNA | | Descriptor: | DNA (5'-D(*CP*CP*TP*CP*GP*TP*AP*AP*AP*AP*CP*TP*GP*TP*CP*AP*AP*C)-3'), DNA (5'-D(P*GP*TP*TP*GP*AP*CP*AP*GP*TP*TP*TP*TP*AP*CP*GP*AP*GP*G)-3'), Homeobox protein Hox-B13, ... | | Authors: | Morgunova, E, Yin, Y, Jolma, A, Popov, A, Taipale, J. | | Deposit date: | 2015-10-26 | | Release date: | 2016-11-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.101 Å) | | Cite: | Molecular basis of recognition of two distinct DNA sequences by a single transcription factor
To Be Published
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7RMF
 | | Substrate-bound Ura7 filament at low pH | | Descriptor: | CTP synthase | | Authors: | Hansen, J.M, Lynch, E.M, Farrell, D.P, DiMaio, F, Quispe, J, Kollman, J.M. | | Deposit date: | 2021-07-27 | | Release date: | 2021-11-24 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (7.3 Å) | | Cite: | Cryo-EM structures of CTP synthase filaments reveal mechanism of pH-sensitive assembly during budding yeast starvation.
Elife, 10, 2021
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7RMV
 | | Yeast CTP Synthase (Ura7) H360R Filament bound to Substrates | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CTP synthase, URIDINE 5'-TRIPHOSPHATE | | Authors: | Hansen, J.M, Lynch, E.M, Farrell, D.P, DiMaio, F, Quispe, J, Kollman, J.M. | | Deposit date: | 2021-07-28 | | Release date: | 2021-11-24 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (6.7 Å) | | Cite: | Cryo-EM structures of CTP synthase filaments reveal mechanism of pH-sensitive assembly during budding yeast starvation.
Elife, 10, 2021
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