7S7S
 
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7SGH
 | | SARS-CoV-2 Main Protease (Mpro) in Complex with ML124N | | Descriptor: | (S)-N-((S)-1-imino-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-4-methyl-2-(2-((2,4,6-trifluorophenyl)amino)acetamido)pentanamide, 3C-like proteinase | | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | | Deposit date: | 2021-10-05 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Rational design of a new class of protease inhibitors for the potential treatment of coronavirus diseases
To Be Published
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7SF1
 | | SARS-CoV-2 Main Protease (Mpro) in Complex with ML1001 | | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(3,3-dimethylbutanoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | | Deposit date: | 2021-10-02 | | Release date: | 2022-10-05 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.
Sci Transl Med, 16, 2024
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1WO9
 | | Selective inhibition of trypsins by insect peptides: role of P6-P10 loop | | Descriptor: | trypsin inhibitor | | Authors: | Kellenberger, C, Ferrat, G, Leone, P, Darbon, H, Roussel, A. | | Deposit date: | 2004-08-12 | | Release date: | 2004-09-07 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Selective inhibition of trypsins by insect peptides: role of P6-P10 loop
Biochemistry, 42, 2003
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7KJB
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6F2I
 | | Crystal structure of Hen Egg-White Lysozyme co-crystallized in presence of 100 mM Tb-Xo4 | | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | | Authors: | Engilberge, S, Riobe, F, DI Pietro, S, Girard, E, Dumont, E, Maury, O. | | Deposit date: | 2017-11-24 | | Release date: | 2018-10-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Unveiling the Binding Modes of the Crystallophore, a Terbium-based Nucleating and Phasing Molecular Agent for Protein Crystallography.
Chemistry, 24, 2018
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7KJA
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6F2K
 | | Crystal structure of Hen Egg-White Lysozyme co-crystallized in presence of 100 mM Tb-Xo4 and 100 mM potassium phosphate monobasic. | | Descriptor: | CHLORIDE ION, Lysozyme C, TERBIUM(III) ION | | Authors: | Engilberge, S, Riobe, F, Di Pietro, S, Girard, E, Dumont, E, Maury, O. | | Deposit date: | 2017-11-24 | | Release date: | 2018-10-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Unveiling the Binding Modes of the Crystallophore, a Terbium-based Nucleating and Phasing Molecular Agent for Protein Crystallography.
Chemistry, 24, 2018
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7SN4
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1XDK
 | | Crystal Structure of the RARbeta/RXRalpha Ligand Binding Domain Heterodimer in Complex with 9-cis Retinoic Acid and a Fragment of the TRAP220 Coactivator | | Descriptor: | (9cis)-retinoic acid, Retinoic acid receptor RXR-alpha, Retinoic acid receptor, ... | | Authors: | Pogenberg, V, Guichou, J.F, Vivat-Hannah, V, Kammerer, S, Perez, E, Germain, P, De Lera, A.R, Gronemeyer, H, Royer, C.A, Bourguet, W. | | Deposit date: | 2004-09-07 | | Release date: | 2004-11-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | CHARACTERIZATION OF THE INTERACTION BETWEEN RAR/RXR HETERODIMERS AND TRANSCRIPTIONAL COACTIVATORS THROUGH STRUCTURAL AND FLUORESCENCE ANISOTROPY STUDIES
J.Biol.Chem., 280, 2005
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7SN7
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7SN9
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1W6H
 | | Novel plasmepsin II-inhibitor complex | | Descriptor: | N-((3S,4S)-5-[(4-BROMOBENZYL)OXY]-3-HYDROXY-4-{[N-(PYRIDIN-2-YLCARBONYL)-L-VALYL]AMINO}PENTANOYL)-L-ALANYL-L-LEUCINAMIDE, PLASMEPSIN 2 | | Authors: | Lindberg, J, Johansson, P.-O, Rosenquist, A, Kvarnstroem, I, Vrang, L, Samuelsson, B, Unge, T. | | Deposit date: | 2004-08-18 | | Release date: | 2006-07-05 | | Last modified: | 2018-01-17 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Structural Study of a Novel Inhibitor with Bulky P1 Side Chain in Complex with Plasmepsin II -Implications for Drug Design
To be Published
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1W4G
 | | Peripheral-subunit binding domains from mesophilic, thermophilic, and hyperthermophilic bacteria fold by ultrafast, apparently two-state folding transitions | | Descriptor: | DIHYDROLIPOYLLYSINE-RESIDUE ACETYLTRANSFERASE | | Authors: | Ferguson, N, Sharpe, T.D, Schartau, P.J, Allen, M.D, Johnson, C.M, Sato, S, Fersht, A.R. | | Deposit date: | 2004-07-23 | | Release date: | 2005-07-20 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Ultra-Fast Barrier-Limited Folding in the Peripheral Subunit-Binding Domain Family.
J.Mol.Biol., 353, 2005
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1W6I
 | | plasmepsin II-pepstatin A complex | | Descriptor: | PEPSTATIN, PLASMEPSIN 2 PRECURSOR | | Authors: | Lindberg, J, Johansson, P.-O, Rosenquist, A, Kvarnstroem, I, Vrang, L, Samuelsson, B, Unge, T. | | Deposit date: | 2004-08-18 | | Release date: | 2006-07-05 | | Last modified: | 2018-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Study of a Novel Inhibitor with Bulky P1 Side Chain in Complex with Plasmepsin II -Implications for Drug Design
To be Published
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1W4I
 | | Peripheral-subunit binding domains from mesophilic, thermophilic, and hyperthermophilic bacteria fold by ultrafast, apparently two-state transitions | | Descriptor: | PYRUVATE DEHYDROGENASE E2 | | Authors: | Ferguson, N, Sharpe, T.D, Schartau, P.J, Allen, M.D, Johnson, C.M, Sato, S, Fersht, A.R. | | Deposit date: | 2004-07-23 | | Release date: | 2005-07-20 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Ultra-Fast Barrier-Limited Folding in the Peripheral Subunit-Binding Domain Family.
J.Mol.Biol., 353, 2005
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1W4E
 | | Peripheral-subunit binding domains from mesophilic, thermophilic, and hyperthermophilic bacteria fold by ultrafast, apparently two-state transitions | | Descriptor: | DIHYDROLIPOYLLYSINE-RESIDUE ACETYLTRANSFERASE | | Authors: | Ferguson, N, Sharpe, T.D, Schartau, P.J, Allen, M.D, Johnson, C.M, Sato, S, Fersht, A.R. | | Deposit date: | 2004-07-23 | | Release date: | 2005-07-20 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Ultra-Fast Barrier-Limited Folding in the Peripheral Subunit-Binding Domain Family.
J.Mol.Biol., 353, 2005
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6F2J
 | | Crystal structure of Hen Egg-White Lysozyme co-crystallized in presence of 100 mM Tb-Xo4 and 100 mM sodium sulfate | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | | Authors: | Engilberge, S, Riobe, F, Di Pietro, S, Girard, E, Dumont, E, Maury, O. | | Deposit date: | 2017-11-24 | | Release date: | 2018-10-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Unveiling the Binding Modes of the Crystallophore, a Terbium-based Nucleating and Phasing Molecular Agent for Protein Crystallography.
Chemistry, 24, 2018
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1YKQ
 | | Crystal structure of Diels-Alder ribozyme | | Descriptor: | CADMIUM ION, Diels-Alder ribozyme, MAGNESIUM ION | | Authors: | Serganov, A, Keiper, S, Malinina, L, Tereshko, V, Skripkin, E, Hobartner, C, Polonskaia, A, Phan, A.T, Wombacher, R, Micura, R, Dauter, Z, Jaschke, A, Patel, D.J. | | Deposit date: | 2005-01-18 | | Release date: | 2005-02-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structural basis for Diels-Alder ribozyme-catalyzed carbon-carbon bond formation.
Nat.Struct.Mol.Biol., 12, 2005
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1YKV
 | | Crystal structure of the Diels-Alder ribozyme complexed with the product of the reaction between N-pentylmaleimide and covalently attached 9-hydroxymethylanthracene | | Descriptor: | (3AS,9AS)-2-PENTYL-4-HYDROXYMETHYL-3A,4,9,9A-TETRAHYDRO-4,9[1',2']-BENZENO-1H-BENZ[F]ISOINDOLE-1,3(2H)-DIONE, Diels-Alder ribozyme, MAGNESIUM ION | | Authors: | Serganov, A, Keiper, S, Malinina, L, Tereshko, V, Skripkin, E, Hobartner, C, Polonskaia, A, Phan, A.T, Wombacher, R, Micura, R, Dauter, Z, Jaschke, A, Patel, D.J. | | Deposit date: | 2005-01-18 | | Release date: | 2005-02-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural basis for Diels-Alder ribozyme-catalyzed carbon-carbon bond formation.
Nat.Struct.Mol.Biol., 12, 2005
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1W4J
 | | Peripheral-subunit binding domains from mesophilic, thermophilic, and hyperthermophilic bacteria fold by ultrafast, apparently two-state transitions | | Descriptor: | PYRUVATE DEHYDROGENASE E2 | | Authors: | Ferguson, N, Sharpe, T.D, Schartau, P.J, Allen, M.D, Johnson, C.M, Sato, S, Fersht, A.R. | | Deposit date: | 2004-07-23 | | Release date: | 2005-07-20 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Ultra-fast barrier-limited folding in the peripheral subunit-binding domain family.
J. Mol. Biol., 353, 2005
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6HF6
 | | Crystal structure of the Protease 1 (E29A,E60A,E80A) from Pyrococcus horikoshii co-crystallized with Tb-Xo4. | | Descriptor: | Deglycase PH1704, MALONATE ION, TERBIUM(III) ION, ... | | Authors: | Engilberge, S, Wagner, T, Santoni, G, Breyton, C, Shima, S, Franzetti, B, Riobe, F, Maury, O, Girard, E. | | Deposit date: | 2018-08-21 | | Release date: | 2019-06-19 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Protein crystal structure determination with the crystallophore, a nucleating and phasing agent.
J.Appl.Crystallogr., 52, 2019
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6VGJ
 | | N-terminal variant of CXCL13 | | Descriptor: | C-X-C motif chemokine 13 | | Authors: | Rosenberg Jr, E.M, Lolis, E.J. | | Deposit date: | 2020-01-08 | | Release date: | 2020-10-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | The N-terminal length and side-chain composition of CXCL13 affect crystallization, structure and functional activity.
Acta Crystallogr D Struct Biol, 76, 2020
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1YRM
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1Y26
 | | A-riboswitch-adenine complex | | Descriptor: | ADENINE, MAGNESIUM ION, Vibrio vulnificus A-riboswitch | | Authors: | Serganov, A, Yuan, Y.R, Patel, D.J. | | Deposit date: | 2004-11-20 | | Release date: | 2004-12-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis for Discriminative Regulation of Gene Expression by Adenine- and Guanine-Sensing mRNAs
Chem.Biol., 11, 2004
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