7D5D
| Left-handed G-quadruplex containing one bulge | Descriptor: | 1xBulge-LHG4motif, POTASSIUM ION, SPERMINE | Authors: | Das, P, Ngo, K.H, Winnerdy, F.R, Maity, A, Bakalar, B, Mechulam, Y, Schmitt, E, Phan, A.T. | Deposit date: | 2020-09-25 | Release date: | 2021-02-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Bulges in left-handed G-quadruplexes. Nucleic Acids Res., 49, 2021
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7D5E
| Left-handed G-quadruplex containing two bulges | Descriptor: | 2xBulge-LHG4motif, POTASSIUM ION, SODIUM ION, ... | Authors: | Das, P, Maity, A, Ngo, K.H, Winnerdy, F.R, Bakalar, B, Mechulam, Y, Schmitt, E, Phan, A.T. | Deposit date: | 2020-09-25 | Release date: | 2021-02-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.296 Å) | Cite: | Bulges in left-handed G-quadruplexes. Nucleic Acids Res., 49, 2021
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7DFY
| Novel motif for left-handed G-quadruplex formation | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2xMotif2, POTASSIUM ION, ... | Authors: | Das, P, Winnerdy, F.R, Maity, A, Mechulam, Y, Phan, A.T. | Deposit date: | 2020-11-10 | Release date: | 2021-09-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | A novel minimal motif for left-handed G-quadruplex formation. Chem.Commun.(Camb.), 57, 2021
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4IGH
| High resolution crystal structure of human dihydroorotate dehydrogenase bound with 4-quinoline carboxylic acid analog | Descriptor: | 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, 6-fluoro-2-[2-methyl-4-phenoxy-5-(propan-2-yl)phenyl]quinoline-4-carboxylic acid, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Deng, X, Das, P, Fontoura, B.M.A, Phillips, M.A, De Brabander, J.K. | Deposit date: | 2012-12-17 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | SAR Based Optimization of a 4-Quinoline Carboxylic Acid Analog with Potent Anti-Viral Activity. ACS MED.CHEM.LETT., 4, 2013
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7D5F
| Left-handed G-quadruplex containing 3 bulges | Descriptor: | 3xBulge-LHG4motif | Authors: | Winnerdy, F.R, Das, P, Ngo, K.H, Maity, A, Bakalar, B, Mechulam, Y, Schmitt, E, Phan, A.T. | Deposit date: | 2020-09-25 | Release date: | 2021-02-10 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Bulges in left-handed G-quadruplexes. Nucleic Acids Res., 49, 2021
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1AZG
| NMR STUDY OF THE SH3 DOMAIN FROM FYN PROTO-ONCOGENE TYROSINE KINASE KINASE COMPLEXED WITH THE SYNTHETIC PEPTIDE P2L CORRESPONDING TO RESIDUES 91-104 OF THE P85 SUBUNIT OF PI3-KINASE, MINIMIZED AVERAGE (PROBMAP) STRUCTURE | Descriptor: | FYN, PRO-PRO-ARG-PRO-LEU-PRO-VAL-ALA-PRO-GLY-SER-SER-LYS-THR | Authors: | Renzoni, D.A, Pugh, D.J.R, Siligardi, G, Das, P, Morton, C.J, Rossi, C, Waterfield, M.D, Campbell, I.D, Ladbury, J.E. | Deposit date: | 1997-11-18 | Release date: | 1998-02-25 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | Structural and thermodynamic characterization of the interaction of the SH3 domain from Fyn with the proline-rich binding site on the p85 subunit of PI3-kinase. Biochemistry, 35, 1996
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1A0N
| NMR STUDY OF THE SH3 DOMAIN FROM FYN PROTO-ONCOGENE TYROSINE KINASE COMPLEXED WITH THE SYNTHETIC PEPTIDE P2L CORRESPONDING TO RESIDUES 91-104 OF THE P85 SUBUNIT OF PI3-KINASE, FAMILY OF 25 STRUCTURES | Descriptor: | FYN, PRO-PRO-ARG-PRO-LEU-PRO-VAL-ALA-PRO-GLY-SER-SER-LYS-THR | Authors: | Renzoni, D.A, Pugh, D.J.R, Siligardi, G, Das, P, Morton, C.J, Rossi, C, Waterfield, M.D, Campbell, I.D, Ladbury, J.E. | Deposit date: | 1997-12-05 | Release date: | 1998-02-25 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | Structural and thermodynamic characterization of the interaction of the SH3 domain from Fyn with the proline-rich binding site on the p85 subunit of PI3-kinase. Biochemistry, 35, 1996
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5ZH4
| CRYSTAL STRUCTURE OF PfKRS WITH INHIBITOR CLADO-7 | Descriptor: | (3R)-6,8-dihydroxy-3-{[(2S,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one, CHLORIDE ION, LYSINE, ... | Authors: | Babbar, P, Malhotra, N, Sharma, M, Harlos, K, Reddy, D.S, Manickam, Y, Sharma, A. | Deposit date: | 2018-03-11 | Release date: | 2018-06-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite J. Med. Chem., 61, 2018
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5ZH3
| CRYSTAL STRUCTURE OF PfKRS WITH INHIBITOR CLADO-6 | Descriptor: | (3S)-6,8-dihydroxy-3-{[(2R,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one, LYSINE, Lysine-tRNA ligase | Authors: | Babbar, P, Malhotra, N, Sharma, M, Harlos, K, Reddy, D.S, Manickam, Y, Sharma, A. | Deposit date: | 2018-03-11 | Release date: | 2018-06-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite J. Med. Chem., 61, 2018
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5ZH5
| CRYSTAL STRUCTURE OF PfKRS WITH INHIBITOR CLADO-2 | Descriptor: | (3S)-6,8-dihydroxy-3-{[(2R,6S)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one, CHLORIDE ION, LYSINE, ... | Authors: | Babbar, P, Malhotra, N, Sharma, M, Harlos, K, Reddy, D.S, Manickam, Y, Sharma, A. | Deposit date: | 2018-03-11 | Release date: | 2018-06-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.08 Å) | Cite: | Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite J. Med. Chem., 61, 2018
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5ZH2
| CRYSTAL STRUCTURE OF PfKRS WITH INHIBITOR CLADO-5 | Descriptor: | (3R)-6,8-dihydroxy-3-{[(2R,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ... | Authors: | Babbar, P, Malhotra, N, Sharma, M, Harlos, K, Reddy, D.S, Manickam, Y, Sharma, A. | Deposit date: | 2018-03-11 | Release date: | 2018-06-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite J. Med. Chem., 61, 2018
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7Z0Y
| THSC20.HVTR04 Fab bound to SARS-CoV-2 Receptor Binding Domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Spike protein S1, ... | Authors: | Wibmer, C.K. | Deposit date: | 2022-02-23 | Release date: | 2022-04-13 | Last modified: | 2022-05-11 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | A combination of potently neutralizing monoclonal antibodies isolated from an Indian convalescent donor protects against the SARS-CoV-2 Delta variant. Plos Pathog., 18, 2022
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7Z0X
| THSC20.HVTR26 Fab bound to SARS-CoV-2 Receptor Binding Domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Spike protein S1, ... | Authors: | Wibmer, C.K. | Deposit date: | 2022-02-23 | Release date: | 2022-04-13 | Last modified: | 2022-05-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A combination of potently neutralizing monoclonal antibodies isolated from an Indian convalescent donor protects against the SARS-CoV-2 Delta variant. Plos Pathog., 18, 2022
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6M0T
| Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with L-lysine and Cladosporin derivative (CL-2) | Descriptor: | (3R)-3-[(R)-[(2R,6S)-6-methyloxan-2-yl]-oxidanyl-methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one, LYSINE, Lysine--tRNA ligase | Authors: | Babbar, P, Sharma, A, Manickam, Y. | Deposit date: | 2020-02-22 | Release date: | 2021-04-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Design, Synthesis, and Structural Analysis of Cladosporin-Based Inhibitors of Malaria Parasites. Acs Infect Dis., 7, 2021
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8DBB
| Crystal structure of DDT with the selective inhibitor 2,5-Pyridinedicarboxylic Acid | Descriptor: | CITRIC ACID, D-dopachrome decarboxylase, pyridine-2,5-dicarboxylic acid | Authors: | Parkins, A, Banumathi, S, Pantouris, G. | Deposit date: | 2022-06-14 | Release date: | 2023-03-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | 2,5-Pyridinedicarboxylic acid is a bioactive and highly selective inhibitor of D-dopachrome tautomerase. Structure, 31, 2023
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6K3X
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6K3Y
| G-quadruplex complex with cyclic dinucleotide 3'-3' cGAMP | Descriptor: | 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, DNA (5'-D(*TP*TP*GP*GP*TP*GP*GP*GP*TP*GP*GP*GP*TP*GP*GP*GP*T)-3') | Authors: | Winnerdy, F.R, Heddi, B, Phan, A.T. | Deposit date: | 2019-05-22 | Release date: | 2020-01-15 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Solution Structures of a G-Quadruplex Bound to Linear- and Cyclic-Dinucleotides. J.Am.Chem.Soc., 141, 2019
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6HRK
| Structure of a far-red fluorescent biliprotein derived from a far-red induced allophycocyanin F subunit from a thermophilic cyanobacterium Chroococcidiopsis thermalis | Descriptor: | Allophycocyanin beta-18 subunit apoprotein, BILIVERDINE IX ALPHA | Authors: | Hou, Y.-N, Hoeppner, A, Ding, W.-L, Gaertner, W, Zhao, K.-H. | Deposit date: | 2018-09-27 | Release date: | 2019-10-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Control of a far-red/near-infrared spectral switch in an artificial fluorescent biliprotein derived from allophycocyanin Protein Sci., Suppl.: Diskette Appendix To V. , No. , [Month], Filename:, 31, 2022
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