2WCE
 
 | | calcium-free (apo) S100A12 | | Descriptor: | PROTEIN S100-A12, SODIUM ION | | Authors: | Moroz, O.V, Blagova, E.V, Wilkinson, A.J, Wilson, K.S, Bronstein, I.B. | | Deposit date: | 2009-03-11 | | Release date: | 2009-06-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | The Crystal Structures of Human S100A12 in Apo Form and in Complex with Zinc: New Insights Into S100A12 Oligomerisation.
J.Mol.Biol., 391, 2009
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2WCB
 | | S100A12 complex with zinc in the absence of calcium | | Descriptor: | PROTEIN S100-A12, SODIUM ION, ZINC ION | | Authors: | Moroz, O.V, Blagova, E.V, Wilkinson, A.J, Wilson, K.S, Bronstein, I.B. | | Deposit date: | 2009-03-10 | | Release date: | 2009-06-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | The Crystal Structures of Human S100A12 in Apo Form and in Complex with Zinc: New Insights Into S100A12 Oligomerisation.
J.Mol.Biol., 391, 2009
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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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6XHO
 | | Covalent complex of SARS-CoV main protease with ethyl (4R)-4-({N-[(4-methoxy-1H-indol-2-yl)carbonyl]-L-leucyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate | | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase, ethyl (2E,4S)-4-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | | Authors: | Gajiwala, K.S, Ferre, R.A, Ryan, K, Stewart, A.E. | | Deposit date: | 2020-06-19 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.446 Å) | | Cite: | Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19.
J.Med.Chem., 63, 2020
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1A4J
 | | DIELS ALDER CATALYTIC ANTIBODY GERMLINE PRECURSOR | | Descriptor: | IMMUNOGLOBULIN, DIELS ALDER CATALYTIC ANTIBODY (HEAVY CHAIN), DIELS ALDER CATALYTIC ANTIBODY (LIGHT CHAIN) | | Authors: | Spiller, B.W, Romesburg, F.E, Schultz, P.G, Stevens, R.C. | | Deposit date: | 1998-01-30 | | Release date: | 1998-05-13 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Immunological origins of binding and catalysis in a Diels-Alderase antibody.
Science, 279, 1998
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1A7G
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4JI8
 | | Crystal Structure of 30S ribosomal subunit from Thermus thermophilus | | Descriptor: | 16S rRNA, MAGNESIUM ION, RIBOSOMAL PROTEIN S10, ... | | Authors: | Demirci, H, Wang, L, Murphy IV, F, Murphy, E, Carr, J, Blanchard, S, Jogl, G, Dahlberg, A.E, Gregory, S.T. | | Deposit date: | 2013-03-05 | | Release date: | 2013-11-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.742 Å) | | Cite: | The central role of protein S12 in organizing the structure of the decoding site of the ribosome.
Rna, 19, 2013
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7ZSD
 | | cryo-EM structure of omicron spike in complex with de novo designed binder, local | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, de novo designed binder | | Authors: | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | | Deposit date: | 2022-05-06 | | Release date: | 2023-03-01 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
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5HD7
 | | Dissecting Therapeutic Resistance to ERK Inhibition Rat Mutant SCH772984 in complex with (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide | | Descriptor: | (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Jha, S, Morris, E.J, Hruza, A, Mansueto, M.S, Schroeder, G, Arbanas, J, McMasters, D, Restaino, C.R, Dayananth, R, Black, S, Elsen, N.L, Mannarino, A, Cooper, A, Fawell, S, Zawel, L, Jayaraman, L, Samatar, A.A. | | Deposit date: | 2016-01-04 | | Release date: | 2016-02-24 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Dissecting Therapeutic Resistance to ERK Inhibition.
Mol.Cancer Ther., 15, 2016
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6TF9
 | | Structure of the vertebrate gamma-Tubulin Ring Complex | | Descriptor: | Actin, cytoplasmic 1, Belt helices 1,2,3,4, ... | | Authors: | Zupa, E, Pfeffer, S. | | Deposit date: | 2019-11-13 | | Release date: | 2019-12-11 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Insights into the assembly and activation of the microtubule nucleator gamma-TuRC.
Nature, 578, 2020
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7STA
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1S97
 | | DPO4 with GT mismatch | | Descriptor: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*CP*TP*G)-3', 5'-D(*T*TP*CP*AP*GP*TP*AP*GP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3', ... | | Authors: | Trincao, J, Johnson, R.E, Wolfle, W.T, Escalante, C.R, Prakash, S, Prakash, L, Aggarwal, A.K. | | Deposit date: | 2004-02-03 | | Release date: | 2004-04-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Dpo4 is hindered in extending a G.T mismatch by a reverse wobble
Nat.Struct.Mol.Biol., 11, 2004
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8CO3
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6FJF
 | | Tubulin-FcMaytansine complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Menchon, G, Prota, A.E, Lucena Angell, D, Bucher, P, Mueller, R, Paterson, I, Diaz, J.F, Altmann, K.-H, Steinmetz, M.O. | | Deposit date: | 2018-01-22 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.402 Å) | | Cite: | A fluorescence anisotropy assay to discover and characterize ligands targeting the maytansine site of tubulin.
Nat Commun, 9, 2018
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4ZFB
 | | Cytochrome P450 pentamutant from BM3 bound to Palmitic Acid | | Descriptor: | 1,2-ETHANEDIOL, Bifunctional P-450/NADPH-P450 reductase, NICKEL (II) ION, ... | | Authors: | Rogers, W.E, Othman, T, Heidary, D.K, Huxford, T. | | Deposit date: | 2015-04-21 | | Release date: | 2016-07-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants.
Biochemistry, 55, 2016
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8G46
 | | Cryo-EM structure of DDB1deltaB-DDA1-DCAF16-BRD4(BD2)-MMH2 | | Descriptor: | Bromodomain-containing protein 4, DDB1- and CUL4-associated factor 16, DET1- and DDB1-associated protein 1, ... | | Authors: | Ma, M.W, Hunkeler, M, Jin, C.Y, Fischer, E.S. | | Deposit date: | 2023-02-08 | | Release date: | 2023-03-08 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | Template-assisted covalent modification of DCAF16 underlies activity of BRD4 molecular glue degraders.
Biorxiv, 2023
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1AGC
 | | ANTAGONIST HIV-1 GAG PEPTIDES INDUCE STRUCTURAL CHANGES IN HLA B8-HIV-1 GAG PEPTIDE (GGKKKYQL-7Q MUTATION) | | Descriptor: | B*0801, BETA-2 MICROGLOBULIN, HIV-1 GAG PEPTIDE (GGKKKYQL - 7Q MUTATION) | | Authors: | Reid, S.W, Mcadam, S, Smith, K.J, Klenerman, P, O'Callaghan, C.A, Harlos, K, Jakobsen, B.K, Mcmichael, A.J, Bell, J, Stuart, D.I, Jones, E.Y. | | Deposit date: | 1997-03-24 | | Release date: | 1997-06-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Antagonist HIV-1 Gag peptides induce structural changes in HLA B8.
J.Exp.Med., 184, 1996
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3J6G
 | | Minimized average structure of microtubules stabilized by taxol | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Alushin, G.M, Lander, G.C, Kellogg, E.H, Zhang, R, Baker, D, Nogales, E. | | Deposit date: | 2014-02-19 | | Release date: | 2014-06-04 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (5.5 Å) | | Cite: | High-Resolution Microtubule Structures Reveal the Structural Transitions in alpha beta-Tubulin upon GTP Hydrolysis.
Cell(Cambridge,Mass.), 157, 2014
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6C9H
 | | non-phosphorylated AMP-activated protein kinase bound to pharmacological activator R734 | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ... | | Authors: | Yan, Y, Zhou, X.E, Novick, S, Shaw, S.J, Li, Y, Hitoshi, Y, Brunzelle, J.S, Griffin, P.R, Xu, H.E, Melcher, K. | | Deposit date: | 2018-01-26 | | Release date: | 2018-11-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structures of AMP-activated protein kinase bound to novel pharmacological activators in phosphorylated, non-phosphorylated, and nucleotide-free states.
J. Biol. Chem., 294, 2019
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8CIB
 | | Structural and functional analysis of the Pseudomonas aeruginosa PA1677 protein | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, Cysteine hydrolase, ... | | Authors: | Sonnleitner, E, Brear, P, Luisi, B.F, Blasi, U. | | Deposit date: | 2023-02-09 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Catabolite repression control protein antagonist, a novel player in Pseudomonas aeruginosa carbon catabolite repression control.
Front Microbiol, 14, 2023
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5LS4
 | | Mopeia virus exonuclease domain complexed with Calcium | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, Nucleoprotein, ... | | Authors: | Yekwa, E.L, Canard, B, Ferron, F. | | Deposit date: | 2016-08-22 | | Release date: | 2017-07-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.469 Å) | | Cite: | Activity inhibition and crystal polymorphism induced by active-site metal swapping.
Acta Crystallogr D Struct Biol, 73, 2017
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6FB3
 | | Teneurin 2 Partial Extracellular Domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Teneurin-2, ... | | Authors: | Jackson, V.A, Carrasquero, M, Lowe, E.D, Seiradake, E. | | Deposit date: | 2017-12-18 | | Release date: | 2018-03-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Structures of Teneurin adhesion receptors reveal an ancient fold for cell-cell interaction.
Nat Commun, 9, 2018
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8CBN
 | | structure of LEDGF/p75 PWWP domain bound to the H3K36 trimethylated dinucleosome | | Descriptor: | Histone H2A, Histone H2B 1.1, Histone H3, ... | | Authors: | Koutna, E, Kouba, T, Novacek, J, Veverka, V. | | Deposit date: | 2023-01-25 | | Release date: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (3.34 Å) | | Cite: | Multivalency of nucleosome recognition by LEDGF.
Nucleic Acids Res., 51, 2023
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6CAE
 | | Crystal structure of the Thermus thermophilus 70S ribosome in complex with NOSO-95179 antibiotic and bound to mRNA and A-, P- and E-site tRNAs at 2.6A resolution | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Pantel, L, Florin, T, Dobosz-Bartoszek, M, Racine, E, Sarciaux, M, Serri, M, Houard, J, Campagne, J.M, Marcia de Figueiredo, R, Midrier, C, Gaudriault, S, Givaudan, A, Lanois, A, Forst, S, Aumelas, A, Cotteaux-Lautard, C, Bolla, J.M, Vingsbo Lundberg, C, Huseby, D, Hughes, D, Villain-Guillot, P, Mankin, A.S, Polikanov, Y.S, Gualtieri, M. | | Deposit date: | 2018-01-30 | | Release date: | 2018-04-18 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Odilorhabdins, Antibacterial Agents that Cause Miscoding by Binding at a New Ribosomal Site.
Mol. Cell, 70, 2018
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5LWF
 | | Structure of a single domain camelid antibody fragment cAb-G10S in complex with the BlaP beta-lactamase from Bacillus licheniformis | | Descriptor: | ACETATE ION, Beta-lactamase, Camelid heavy-chain antibody variable fragment cAb-G10S | | Authors: | Vettore, N, Kerff, F, Pain, C, Herman, R, Sauvage, E, Preumont, S, Charlier, P, Dumoulin, M. | | Deposit date: | 2016-09-16 | | Release date: | 2017-11-15 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Probing the mechanism of aggregation of polyQ model proteins with camelid heavy-chain antibody fragments
To Be Published
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