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7D5D
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BU of 7d5d by Molmil
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
7D5E
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BU of 7d5e by Molmil
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
7DFY
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BU of 7dfy by Molmil
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
4IGH
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BU of 4igh by Molmil
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
7D5F
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BU of 7d5f by Molmil
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
1AZG
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BU of 1azg by Molmil
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
1A0N
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BU of 1a0n by Molmil
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
5ZH4
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BU of 5zh4 by Molmil
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
5ZH3
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BU of 5zh3 by Molmil
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
5ZH5
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BU of 5zh5 by Molmil
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
5ZH2
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BU of 5zh2 by Molmil
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
7Z0Y
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BU of 7z0y by Molmil
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
7Z0X
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BU of 7z0x by Molmil
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
6M0T
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BU of 6m0t by Molmil
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
8DBB
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BU of 8dbb by Molmil
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
6K3X
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BU of 6k3x by Molmil
G-quadruplex complex with linear dinucleotide d(AG)
Descriptor: DNA (5'-D(*AP*G)-3'), 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
Method:SOLUTION NMR
Cite:Solution Structures of a G-Quadruplex Bound to Linear- and Cyclic-Dinucleotides.
J.Am.Chem.Soc., 141, 2019
6K3Y
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BU of 6k3y by Molmil
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
6HRK
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BU of 6hrk by Molmil
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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