5NZE
 
 | | Complex of S247N mutant variant of neuraminidase from H1N1 influenza virus with oseltamivir | | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Pachl, P, Pokorna, J, Hejdanek, J. | | Deposit date: | 2017-05-13 | | Release date: | 2018-07-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Kinetic, Thermodynamic, and Structural Analysis of Drug Resistance Mutations in Neuraminidase from the 2009 Pandemic Influenza Virus.
Viruses, 10, 2018
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3LQQ
 | | Structure of the CED-4 Apoptosome | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell death protein 4, MAGNESIUM ION | | Authors: | Qi, S, Pang, Y, Shi, Y, Yan, N, Liu, Q. | | Deposit date: | 2010-02-09 | | Release date: | 2010-04-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.534 Å) | | Cite: | Crystal structure of the Caenorhabditis elegans apoptosome reveals an octameric assembly of CED-4.
Cell(Cambridge,Mass.), 141, 2010
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4W1V
 | | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a thiazole inhibitor | | Descriptor: | 1,2-ETHANEDIOL, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, CHLORIDE ION, ... | | Authors: | Finzel, B.C, Dai, R. | | Deposit date: | 2014-08-13 | | Release date: | 2015-02-04 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis.
Chem.Biol., 22, 2015
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4W2F
 | | Crystal structure of the Thermus thermophilus 70S ribosome in complex with amicoumacin, mRNA and three deacylated tRNAs in the A, P and E sites | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S10, ... | | Authors: | Polikanov, Y.S, Osterman, I.A, Szal, T, Tashlitsky, V.N, Serebryakova, M.V, Kusochek, P, Bulkley, D, Malanicheva, I.A, Efimenko, T.A, Efremenkova, O.V, Konevega, A.L, Shaw, K.J, Bogdanov, A.A, Rodnina, M.V, Dontsova, O.A, Mankin, A.S, Steitz, T.A, Sergiev, P.V. | | Deposit date: | 2014-09-12 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Amicoumacin a inhibits translation by stabilizing mRNA interaction with the ribosome.
Mol.Cell, 56, 2014
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5ODE
 | | Structure of a novel oxidoreductase from Gloeobacter violaceus | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Gll2934 protein, SULFATE ION | | Authors: | Buey, R.M, Galindo-Trigo, S, de Pereda, J.M, Balsera, M. | | Deposit date: | 2017-07-05 | | Release date: | 2017-11-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.196 Å) | | Cite: | Unprecedented pathway of reducing equivalents in a diflavin-linked disulfide oxidoreductase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7AME
 | | TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 T15A | | Descriptor: | PROTEIN (ANTIFREEZE PROTEIN TYPE III) | | Authors: | Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z. | | Deposit date: | 1999-01-24 | | Release date: | 1999-04-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Quantitative and qualitative analysis of type III antifreeze protein structure and function.
J.Biol.Chem., 274, 1999
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6PAK
 | | Insight into subtilisin E-S7 cleavage pattern based on crystal structure and hydrolysates peptide analysis | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Subtilisin E | | Authors: | Tang, H, Shi, K, Aihara, H. | | Deposit date: | 2019-06-11 | | Release date: | 2019-10-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Enhancing subtilisin thermostability through a modified normalized B-factor analysis and loop-grafting strategy.
J.Biol.Chem., 294, 2019
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7AMJ
 | | Structure of SARS-CoV-2 Main Protease bound to PD 168568. | | Descriptor: | (3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one, 3C-like proteinase, CHLORIDE ION, ... | | Authors: | 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, Andaleeb, H, Werner, N, Falke, S, Hinrichs, W, Alves Franca, B, Schwinzer, M, Brognaro, H, 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, Boger, J, 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: | 2020-10-09 | | Release date: | 2020-12-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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5O3D
 | | Human Brd2(BD2) mutant in complex with 9-ET | | Descriptor: | (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, CHLORIDE ION, ... | | Authors: | Chan, K.-H, Runcie, A.C, Ciulli, A. | | Deposit date: | 2017-05-23 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
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7ANZ
 | | Structure of the Candida albicans gamma-Tubulin Small Complex | | Descriptor: | Spindle pole body component, Tubulin gamma chain | | Authors: | Zupa, E, Pfeffer, S. | | Deposit date: | 2020-10-13 | | Release date: | 2020-11-04 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | The cryo-EM structure of a gamma-TuSC elucidates architecture and regulation of minimal microtubule nucleation systems.
Nat Commun, 11, 2020
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6PBX
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3LO6
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5O5W
 | | Molybdenum storage protein room-temperature structure determined by serial millisecond crystallography | | Descriptor: | (mu3-oxo)-tris(mu2-oxo)-nonakisoxo-trimolybdenum (VI), ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Steffen, B, Weinert, T, Ermler, U, Standfuss, J. | | Deposit date: | 2017-06-02 | | Release date: | 2017-09-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
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3LG8
 | | Crystal structure of the C-terminal part of subunit E (E101-206) from Methanocaldococcus jannaschii of A1AO ATP synthase | | Descriptor: | A-type ATP synthase subunit E | | Authors: | Balakrishna, A.M, Manimekalai, M.S.S, Hunke, C, Gayen, S, Jeyakanthan, J, Gruber, G. | | Deposit date: | 2010-01-19 | | Release date: | 2010-07-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (4.1 Å) | | Cite: | Crystal and solution structure of the C-terminal part of the Methanocaldococcus jannaschii A1AO ATP synthase subunit E revealed by X-ray diffraction and small-angle X-ray scattering
J.Bioenerg.Biomembr., 42, 2010
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4WD6
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7AX6
 | | Structure of SARS-CoV-2 Main Protease bound to Glutathione isopropyl ester | | Descriptor: | (2~{S})-2-azanyl-5-oxidanylidene-5-[[(2~{S})-1-oxidanylidene-1-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)amino]-3-sulfanyl-propan-2-yl]amino]pentanoic acid, 3C-like proteinase, DIMETHYL SULFOXIDE, ... | | Authors: | Guenther, S, Reinke, P.Y.A, 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, Lane, T.J, Dunkel, I, 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: | 2020-11-09 | | Release date: | 2020-12-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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4WDH
 | | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation Y168A | | Descriptor: | 2',3'-cyclic-nucleotide 3'-phosphodiesterase, ACETIC ACID, CHLORIDE ION | | Authors: | Myllykoski, M, Raasakka, A, Kursula, P. | | Deposit date: | 2014-09-08 | | Release date: | 2015-09-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
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7AK4
 | | Structure of SARS-CoV-2 Main Protease bound to Tretazicar. | | Descriptor: | 3C-like proteinase, 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE, CHLORIDE ION, ... | | Authors: | 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: | 2020-09-29 | | Release date: | 2020-12-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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7B3C
 | | Structure of elongating SARS-CoV-2 RNA-dependent RNA polymerase with Remdesivir at position -4 (structure 2) | | Descriptor: | DNA/RNA (5'-R(P*CP*UP*AP*CP*GP*CP*A)-D(P*(RMP))-R(P*GP*UP*G)-3'), Non-structural protein 7, Non-structural protein 8, ... | | Authors: | Kokic, G, Hillen, H.S, Tegunov, D, Dienemann, C, Seitz, F, Schmitzova, J, Farnung, L, Siewert, A, Hoebartner, C, Cramer, P. | | Deposit date: | 2020-11-30 | | Release date: | 2020-12-23 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Mechanism of SARS-CoV-2 polymerase stalling by remdesivir.
Nat Commun, 12, 2021
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5O8Q
 | | Crystal structure of R. ruber ADH-A, mutant Y294F, W295A | | Descriptor: | Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | | Authors: | Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M. | | Deposit date: | 2017-06-14 | | Release date: | 2017-10-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Relaxation of nonproductive binding and increased rate of coenzyme release in an alcohol dehydrogenase increases turnover with a nonpreferred alcohol enantiomer.
FEBS J., 284, 2017
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5O2R
 | | Cryo-EM structure of the proline-rich antimicrobial peptide Api137 bound to the terminating ribosome | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Graf, M, Berninghausen, O, Beckmann, R, Wilson, D.N. | | Deposit date: | 2017-05-22 | | Release date: | 2017-07-26 | | Last modified: | 2019-02-20 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | An antimicrobial peptide that inhibits translation by trapping release factors on the ribosome.
Nat. Struct. Mol. Biol., 24, 2017
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6SNH
 | | Cryo-EM structure of yeast ALG6 in complex with 6AG9 Fab and Dol25-P-Glc | | Descriptor: | 6AG9 Fab heavy chain, 6AG9 Fab light chain, Dolichyl pyrophosphate Man9GlcNAc2 alpha-1,3-glucosyltransferase, ... | | Authors: | Bloch, J.S, Pesciullesi, G, Boilevin, J, Nosol, K, Irobalieva, R.N, Darbre, T, Aebi, M, Kossiakoff, A.A, Reymond, J.L, Locher, K.P. | | Deposit date: | 2019-08-24 | | Release date: | 2020-03-11 | | Last modified: | 2020-04-01 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structure and mechanism of the ER-based glucosyltransferase ALG6.
Nature, 579, 2020
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7AKU
 | | Structure of SARS-CoV-2 Main Protease bound to Calpeptin. | | Descriptor: | 3C-like proteinase, CHLORIDE ION, Calpeptin | | Authors: | 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: | 2020-10-02 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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3LRB
 | | Structure of E. coli AdiC | | Descriptor: | Arginine/agmatine antiporter | | Authors: | Gao, X, Lu, F, Zhou, L, Shi, Y. | | Deposit date: | 2010-02-10 | | Release date: | 2010-02-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.61 Å) | | Cite: | Structure and mechanism of an amino acid antiporter
Science, 324, 2009
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3LIZ
 | | crystal structure of bla g 2 complexed with Fab 4C3 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4C3 monoclonal antibody Heavy Chain, ... | | Authors: | Li, M, Gustchina, A, Glesner, J, Wunschmann, S, Pomes, A, Wlodawer, A. | | Deposit date: | 2010-01-25 | | Release date: | 2010-12-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mechanisms of allergen-antibody interaction of cockroach allergen Bla g 2 with monoclonal antibodies that inhibit IgE antibody binding.
Plos One, 6, 2011
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