1OKD
 
 | | NMR-structure of tryparedoxin 1 | | Descriptor: | TRYPAREDOXIN 1 | | Authors: | Krumme, D, Budde, H, Hecht, H.-J, Menge, U, Ohlenschlager, O, Ross, A, Wissing, J, Wray, V, Flohe, L. | | Deposit date: | 2003-07-22 | | Release date: | 2003-08-28 | | Last modified: | 2018-01-17 | | Method: | SOLUTION NMR | | Cite: | NMR studies of the interaction of tryparedoxin with redox-inactive substrate homologues.
Biochemistry, 42, 2003
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2UW5
 | | Structure of PKA-PKB chimera complexed with (R)-2-(4-chloro-phenyl)- 2-(4-1H-pyrazol-4-yl)-phenyl)-ethylamine | | Descriptor: | (2R)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | | Authors: | Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A. | | Deposit date: | 2007-03-19 | | Release date: | 2007-05-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery
J.Med.Chem., 50, 2007
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8A4V
 | | Crystal structure of human cathepsin L with covalently bound E-64 | | Descriptor: | Cathepsin L, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | Deposit date: | 2022-06-13 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
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7ZY3
 | | Room temperature structure of Archaerhodopsin-3 obtained 110 ns after photoexcitation | | Descriptor: | Archaerhodopsin-3, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Kwan, T.O.C, Judge, P.J, Moraes, I, Watts, A, Axford, D, Bada Juarez, J.F. | | Deposit date: | 2022-05-23 | | Release date: | 2023-06-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A versatile approach to high-density microcrystals in lipidic cubic phase for room-temperature serial crystallography.
J.Appl.Crystallogr., 56, 2023
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2UW7
 | | Structure of PKA-PKB chimera complexed with 4-(4-chloro-phenyl)-4-(4- (1H-pyrazol-4-yl)-phenyl)-piperidine | | Descriptor: | 4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | | Authors: | Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A. | | Deposit date: | 2007-03-19 | | Release date: | 2007-05-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery
J.Med.Chem., 50, 2007
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2VDA
 | | Solution structure of the SecA-signal peptide complex | | Descriptor: | MALTOPORIN, TRANSLOCASE SUBUNIT SECA | | Authors: | Gelis, I, Bonvin, A.M.J.J, Keramisanou, D, Koukaki, M, Gouridis, G, Karamanou, S, Economou, A, Kalodimos, C.G. | | Deposit date: | 2007-10-01 | | Release date: | 2007-11-27 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Basis for Signal-Sequence Recognition by the Translocase Motor Seca as Determined by NMR
Cell(Cambridge,Mass.), 131, 2007
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8A4W
 | | Crystal structure of human cathepsin L with covalently bound Cathepsin L inhibitor IV | | Descriptor: | 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | Deposit date: | 2022-06-13 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
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4I0X
 | | Crystal structure of the Mycobacterum abscessus EsxEF (Mab_3112-Mab_3113) complex | | Descriptor: | BETA-MERCAPTOETHANOL, ESAT-6-like protein MAB_3112, ESAT-6-like protein MAB_3113, ... | | Authors: | Arbing, M.A, Chan, S, Lu, J, Kuo, E, Harris, L, Eisenberg, D, Integrated Center for Structure and Function Innovation (ISFI), TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2012-11-19 | | Release date: | 2013-01-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.956 Å) | | Cite: | Heterologous expression of mycobacterial Esx complexes in Escherichia coli for structural studies is facilitated by the use of maltose binding protein fusions.
Plos One, 8, 2013
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2J79
 | | Beta-glucosidase from Thermotoga maritima in complex with galacto- hydroximolactam | | Descriptor: | (2E,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-2-PIPERIDINONE, ACETATE ION, BETA-GLUCOSIDASE A, ... | | Authors: | Gloster, T.M, Zechel, D, Vasella, A, Davies, G.J. | | Deposit date: | 2006-10-06 | | Release date: | 2006-10-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics.
J.Am.Chem.Soc., 129, 2007
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8A4X
 | | Crystal structure of human Cathepsin L with covalently bound Calpain inhibitor III | | Descriptor: | (phenylmethyl) N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]carbamate, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | Deposit date: | 2022-06-13 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
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1OUX
 | | LecB (PA-LII) sugar-free | | Descriptor: | CALCIUM ION, SULFATE ION, hypothetical protein LecB | | Authors: | Loris, R, Tielker, D, Jaeger, K.-E, Wyns, L. | | Deposit date: | 2003-03-25 | | Release date: | 2003-09-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis of Carbohydrate Recognition by the Lectin LecB from Pseudomonas aeruginosa
J.MOL.BIOL., 331, 2003
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8A4U
 | | Crystal structure of human cathepsin L with CAA0225 | | Descriptor: | (2S,3S)-N3-[2-(4-hydroxyphenyl)ethyl]-N2-[(2S)-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]oxirane-2,3-dicarboxamide, 1,2-ETHANEDIOL, Cathepsin L, ... | | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | Deposit date: | 2022-06-13 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
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1OYX
 | | CRYSTAL STRUCTURE OF 3-MBT REPEATS OF LETHAL (3) MALIGNANT BRAIN TUMOR (SELENO-MET) AT 1.85 ANGSTROM | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Lethal(3)malignant brain tumor-like protein, SULFATE ION | | Authors: | Wang, W.K, Tereshko, V, Boccuni, P, MacGrogan, D, Nimer, S.D, Patel, D.J. | | Deposit date: | 2003-04-07 | | Release date: | 2003-08-19 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Malignant brain tumor repeats: a three-leaved propeller architecture with ligand/peptide binding pockets.
Structure, 11, 2003
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8A9O
 | | Structure of the polyamine acetyltransferase DpA | | Descriptor: | ACETYL COENZYME *A, BROMIDE ION, COENZYME A, ... | | Authors: | Garcia-Pino, A, Jurenas, D. | | Deposit date: | 2022-06-28 | | Release date: | 2023-07-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.587 Å) | | Cite: | A polyamine acetyltransferase regulates the motility and biofilm formation of Acinetobacter baumannii.
Nat Commun, 14, 2023
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8A9N
 | | Structure of DpA polyamine acetyltransferase in complex with 1,3-DAP | | Descriptor: | 1,3-DIAMINOPROPANE, Acetyltransferase, COENZYME A, ... | | Authors: | Garcia-Pino, A, Jurenas, D. | | Deposit date: | 2022-06-28 | | Release date: | 2023-07-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.854 Å) | | Cite: | A polyamine acetyltransferase regulates the motility and biofilm formation of Acinetobacter baumannii.
Nat Commun, 14, 2023
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2V3J
 | | The yeast ribosome synthesis factor Emg1 alpha beta knot fold methyltransferase | | Descriptor: | ESSENTIAL FOR MITOTIC GROWTH 1, SULFATE ION | | Authors: | Leulliot, N, Bohnsack, M.T, Graille, M, Tollervey, D, Van Tilbeurgh, H. | | Deposit date: | 2007-06-18 | | Release date: | 2007-12-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Yeast Ribosome Synthesis Factor Emg1 is a Novel Member of the Superfamily of Alpha/Beta Knot Fold Methyltransferases.
Nucleic Acids Res., 36, 2008
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2V7N
 | | Unusual twinning in crystals of the CitS binding antibody Fab fragment f3p4 | | Descriptor: | IMMUNOGLOBULIN HEAVY CHAIN, IMMUNOGLOBULIN LIGHT CHAIN | | Authors: | Frey, D, Huber, T, Plueckthun, A, Gruetter, M.G. | | Deposit date: | 2007-07-31 | | Release date: | 2008-06-17 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structure of the Recombinant Antibody Fab Fragment F3P4.
Acta Crystallogr.,Sect.D, 64, 2008
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8A5B
 | | Crystal structure of human cathepsin L in complex with covalently bound MG-101 | | Descriptor: | Calpain Inhibitor I, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | Deposit date: | 2022-06-14 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
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1P2R
 | | T4 LYSOZYME CORE REPACKING MUTANT I78V/TA | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ... | | Authors: | Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W. | | Deposit date: | 2003-04-15 | | Release date: | 2003-10-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Repacking the Core of T4 lysozyme by automated design
J.Mol.Biol., 332, 2003
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1OQA
 | | Solution structure of the BRCT-c domain from human BRCA1 | | Descriptor: | Breast cancer type 1 susceptibility protein | | Authors: | Gaiser, O.J, Ball, L.J, Schmieder, P, Leitner, D, Strauss, H, Wahl, M, Kuhne, R, Oschkinat, H, Heinemann, U. | | Deposit date: | 2003-03-07 | | Release date: | 2004-06-15 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure, backbone dynamics, and association behavior of the C-terminal BRCT domain from the breast cancer-associated protein BRCA1.
Biochemistry, 43, 2004
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2UYH
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7O2X
 | | Crystal structure of the human METTL3-METTL14 complex with compound T180 | | Descriptor: | ACETATE ION, N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-2-carboxamide, N6-adenosine-methyltransferase catalytic subunit, ... | | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | | Deposit date: | 2021-03-31 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of the human METTL3-METTL14 complex with compound T180
To Be Published
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1P57
 | | Extracellular domain of human hepsin | | Descriptor: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}BENZENOLATE, Serine protease hepsin | | Authors: | Somoza, J.R, Ho, J.D, Luong, C, Sprengeler, P.A, Mortara, K, Shrader, W.D, Sperandio, D, Chan, H, McGrath, M.E, Katz, B.A. | | Deposit date: | 2003-04-25 | | Release date: | 2004-01-20 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The Structure of the Extracellular Region of Human Hepsin Reveals a Serine Protease Domain and a Novel Scavenger Receptor Cysteine-Rich (SRCR) Domain
Structure, 11, 2003
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1OT5
 | | The 2.4 Angstrom Crystal Structure of Kex2 in complex with a peptidyl-boronic acid inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ac-Ala-Lys-boroArg N-acetylated boronic acid peptide inhibitor, ... | | Authors: | Holyoak, T, Wilson, M.A, Fenn, T.D, Kettner, C.A, Petsko, G.A, Fuller, R.S, Ringe, D. | | Deposit date: | 2003-03-21 | | Release date: | 2003-06-17 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 2.4 A Resolution Crystal Structure of the Prototypical Hormone-Processing Protease Kex2 in Complex with an Ala-Lys-Arg Boronic Acid Inhibitor
Biochemistry, 42, 2003
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2UYV
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