2LM7
| NMR structure of the C-terminal domain of VP7 in membrane mimicking micelles | Descriptor: | Outer capsid glycoprotein VP7 | Authors: | Elaid, S, Libersou, S, Ouldali, M, Morellet, N, Lepault, J, Bouaziz, S. | Deposit date: | 2011-11-23 | Release date: | 2012-10-24 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | NMR structure of the C-terminal domain of VP7 in membrane mimicking micelles To be Published
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7NQC
| Calmodulin extracts the Ras family protein RalA from lipid bilayers by engagement with two membrane targeting motifs | Descriptor: | CALCIUM ION, Calmodulin-1, PRO-ASN-GLY-LYS-LYS-LYS-ARG-LYS-SER-LEU-ALA-LYS-ARG-ILE-ARG-GLU-ARG-CMF, ... | Authors: | Chamberlain, S.G, Owen, D, Mott, H.R. | Deposit date: | 2021-03-01 | Release date: | 2021-09-22 | Method: | SOLUTION NMR | Cite: | Calmodulin extracts the Ras family protein RalA from lipid bilayers by engagement with two membrane-targeting motifs. Proc.Natl.Acad.Sci.USA, 118, 2021
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6YPT
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5JF0
| Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with tripeptide Met-Ala-Arg | Descriptor: | ACETATE ION, MET-ALA-ARG, NICKEL (II) ION, ... | Authors: | Fieulaine, S, Giglione, C, Meinnel, T. | Deposit date: | 2016-04-19 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A unique peptide deformylase platform to rationally design and challenge novel active compounds. Sci Rep, 6, 2016
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3I72
| Structural characterization for the nucleotide binding ability of subunit A with SO4 of the A1AO ATP synthase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, A-TYPE ATP SYNTHASE CATALYTIC SUBUNIT A, ... | Authors: | Manimekalai, S.M.S, Kumar, A, Balakrishna, A.M, Gruber, G. | Deposit date: | 2009-07-07 | Release date: | 2010-01-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Nucleotide binding states of subunit A of the A-ATP synthase and the implication of P-loop switch in evolution. J.Mol.Biol., 396, 2010
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5JF4
| Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with inhibitor AT019 | Descriptor: | (3R)-3-{3-[(1-benzofuran-3-yl)methyl]-1,2,4-oxadiazol-5-yl}-4-cyclopentyl-N-hydroxybutanamide, ACETATE ION, IMIDAZOLE, ... | Authors: | Fieulaine, S, Giglione, C, Meinnel, T. | Deposit date: | 2016-04-19 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A unique peptide deformylase platform to rationally design and challenge novel active compounds. Sci Rep, 6, 2016
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5JEX
| Crystal structure of type 2 PDF from Streptococcus agalactiae, crystallized in imidazole buffer | Descriptor: | IMIDAZOLE, Peptide deformylase, ZINC ION | Authors: | Fieulaine, S, Giglione, C, Meinnel, T. | Deposit date: | 2016-04-19 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A unique peptide deformylase platform to rationally design and challenge novel active compounds. Sci Rep, 6, 2016
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5JF3
| Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with inhibitor AT018 | Descriptor: | ACETATE ION, IMIDAZOLE, Peptide deformylase, ... | Authors: | Fieulaine, S, Giglione, C, Meinnel, T. | Deposit date: | 2016-04-19 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A unique peptide deformylase platform to rationally design and challenge novel active compounds. Sci Rep, 6, 2016
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5JEY
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5JF6
| Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with inhibitor 6b (AB47) | Descriptor: | 2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide, ACETATE ION, Peptide deformylase, ... | Authors: | Fieulaine, S, Giglione, C, Meinnel, T, Hamiche, K. | Deposit date: | 2016-04-19 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A unique peptide deformylase platform to rationally design and challenge novel active compounds. Sci Rep, 6, 2016
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5JF5
| Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with inhibitor AT020 | Descriptor: | (3R)-3-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazol-5-yl}-4-cyclopentyl-N-hydroxybutanamide, ACETATE ION, IMIDAZOLE, ... | Authors: | Fieulaine, S, Giglione, C, Meinnel, T. | Deposit date: | 2016-04-19 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A unique peptide deformylase platform to rationally design and challenge novel active compounds. Sci Rep, 6, 2016
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5JEZ
| Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with tripeptide Met-Ala-Ser | Descriptor: | ACETATE ION, Met-Ala-Ser, Peptide deformylase, ... | Authors: | Fieulaine, S, Giglione, C, Meinnel, T. | Deposit date: | 2016-04-19 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A unique peptide deformylase platform to rationally design and challenge novel active compounds. Sci Rep, 6, 2016
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5JF7
| Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with inhibitor SMP289 | Descriptor: | 2-(3-benzyl-5-bromo-1H-indol-1-yl)-N-hydroxyacetamide, ACETATE ION, IMIDAZOLE, ... | Authors: | Fieulaine, S, Giglione, C, Meinnel, T, Hamiche, K. | Deposit date: | 2016-04-19 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A unique peptide deformylase platform to rationally design and challenge novel active compounds. Sci Rep, 6, 2016
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5JF8
| Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with inhibitor RAS358 (21) | Descriptor: | ACETATE ION, IMIDAZOLE, Peptide deformylase, ... | Authors: | Fieulaine, S, Giglione, C, Meinnel, T. | Deposit date: | 2016-04-19 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A unique peptide deformylase platform to rationally design and challenge novel active compounds. Sci Rep, 6, 2016
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5JF1
| Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with actinonin | Descriptor: | ACETATE ION, ACTINONIN, Peptide deformylase, ... | Authors: | Fieulaine, S, Giglione, C, Meinnel, T. | Deposit date: | 2016-04-19 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A unique peptide deformylase platform to rationally design and challenge novel active compounds. Sci Rep, 6, 2016
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5JF2
| Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with inhibitor AT002 | Descriptor: | (3R)-3-{3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl}-N-hydroxyheptanamide, ACETATE ION, IMIDAZOLE, ... | Authors: | Fieulaine, S, Giglione, C, Meinnel, T, Hamiche, K. | Deposit date: | 2016-04-19 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A unique peptide deformylase platform to rationally design and challenge novel active compounds. Sci Rep, 6, 2016
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3EIU
| A second transient position of ATP on its trail to the nucleotide-binding site of subunit B of the motor protein A1Ao ATP synthase | Descriptor: | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, ADENOSINE-5'-TRIPHOSPHATE, V-type ATP synthase beta chain | Authors: | Manimekalai, S.M.S, Kumar, A, Balakrishna, A.M, Gruber, G. | Deposit date: | 2008-09-17 | Release date: | 2009-02-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.43 Å) | Cite: | A second transient position of ATP on its trail to the nucleotide-binding site of subunit B of the motor protein A(1)A(O) ATP synthase J.Struct.Biol., 166, 2009
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3I73
| Structural characterization for the nucleotide binding ability of subunit A with ADP of the A1AO ATP synthase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, A-TYPE ATP SYNTHASE CATALYTIC SUBUNIT A, ... | Authors: | Manimekalai, S.M.S, Kumar, A, Balakrishna, A.M, Gruber, G. | Deposit date: | 2009-07-08 | Release date: | 2010-01-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Nucleotide binding states of subunit A of the A-ATP synthase and the implication of P-loop switch in evolution. J.Mol.Biol., 396, 2010
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5A7Q
| Crystal structure of human JMJD2A in complex with compound 30 | Descriptor: | 1,2-ETHANEDIOL, 2-(5-azanyl-2-oxidanyl-phenyl)pyridine-4-carboxylic acid, CHLORIDE ION, ... | Authors: | Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Dixon-Clarke, S, MacKenzie, A, Nowak, R, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U. | Deposit date: | 2015-07-09 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors. J.Med.Chem., 59, 2016
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3I4L
| Structural characterization for the nucleotide binding ability of subunit A with AMP-PNP of the A1AO ATP synthase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, A-TYPE ATP SYNTHASE CATALYTIC SUBUNIT A, ... | Authors: | Manimekalai, S.M.S, Kumar, A, Balakrishna, A.M, Jeyakanthan, J, Gruber, G. | Deposit date: | 2009-07-01 | Release date: | 2010-01-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Nucleotide binding states of subunit A of the A-ATP synthase and the implication of P-loop switch in evolution. J.Mol.Biol., 396, 2010
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5MTE
| Crystal structure of PDF from the Vibrio parahaemolyticus bacteriophage VP16T in complex with actinonin - crystal form II | Descriptor: | ACTINONIN, NICKEL (II) ION, Putative uncharacterized protein orf60T, ... | Authors: | Fieulaine, S, Grzela, R, Giglione, C, Meinnel, T. | Deposit date: | 2017-01-09 | Release date: | 2017-11-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Peptide deformylases from Vibrio parahaemolyticus phage and bacteria display similar deformylase activity and inhibitor binding clefts. Biochim. Biophys. Acta, 1866, 2018
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3ELJ
| Jnk1 complexed with a bis-anilino-pyrrolopyrimidine inhibitor. | Descriptor: | 2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide, Mitogen-activated protein kinase 8 | Authors: | Chamberlain, S, Atkins, C, Deanda, F, Dumble, M, Gerding, R, Groy, A, Korenchuk, S, Kumar, R, Lei, H, Mook, R, Moorthy, G, Redman, A, Rowland, J, Shewchuk, L, Vicentini, G, Mosley, J. | Deposit date: | 2008-09-22 | Release date: | 2008-12-30 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Optimization of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine IGF-1R tyrosine kinase inhibitors towards JNK selectivity. Bioorg.Med.Chem.Lett., 19, 2009
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2UZ2
| Crystal structure of Xenavidin | Descriptor: | ACETATE ION, BIOTIN, XENAVIDIN | Authors: | Helppolainen, S.H, Maatta, J.A.E, Airenne, T.T, Johnson, M.S, Kulomaa, M.S, Nordlund, H.R. | Deposit date: | 2007-04-24 | Release date: | 2008-06-03 | Last modified: | 2017-06-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and Functional Characteristics of Xenavidin, the First Frog Avidin from Xenopus Tropicalis. Bmc Struct.Biol., 9, 2009
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2UYW
| Crystal structure of Xenavidin | Descriptor: | BIOTIN, FORMIC ACID, XENAVIDIN | Authors: | Helppolainen, S.H, Maatta, J.A.E, Airenne, T.T, Johnson, M.S, Kulomaa, M.S, Nordlund, H.R. | Deposit date: | 2007-04-20 | Release date: | 2008-05-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and Functional Characteristics of Xenavidin, the First Frog Avidin from Xenopus Tropicalis. Bmc Struct.Biol., 9, 2009
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3EKN
| Insulin receptor kinase complexed with an inhibitor | Descriptor: | 2-fluoro-6-{[2-({2-methoxy-4-[4-(1-methylethyl)piperazin-1-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide, Insulin receptor | Authors: | Chamberlain, S, Atkins, C, Deanda, F, Dumble, M, Gerding, R, Groy, A, Korenchuk, S, Kumar, R, Lei, H, Mook, R, Moorthy, G, Redman, A, Rowland, J, Shewchuk, L. | Deposit date: | 2008-09-19 | Release date: | 2008-12-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Optimization of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine IGF-1R tyrosine kinase inhibitors towards JNK selectivity. Bioorg.Med.Chem.Lett., 19, 2009
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