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7KIT
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BU of 7kit by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with WCK 4234
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile, Peptidoglycan D,D-transpeptidase FtsI
著者van den Akker, F.
登録日2020-10-24
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.089 Å)
主引用文献Structural Characterization of Diazabicyclooctane beta-Lactam "Enhancers" in Complex with Penicillin-Binding Proteins PBP2 and PBP3 of Pseudomonas aeruginosa.
Mbio, 12, 2021
6CPW
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BU of 6cpw by Molmil
Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology
分子名称: (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
著者Hruza, A, Hruza, A.
登録日2018-03-14
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology.
Bioorg. Med. Chem. Lett., 28, 2018
7L0O
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BU of 7l0o by Molmil
Streptococcus gordonii C123 Domain(s)-Structural and Functional Analysis
分子名称: Agglutinin receptor, CALCIUM ION
著者Schormann, N, Deivanayagam, C.
登録日2020-12-11
公開日2021-09-08
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural and functional analysis of the C-terminal region of Streptococcus gordonii SspB.
Acta Crystallogr D Struct Biol, 77, 2021
3TUL
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BU of 3tul by Molmil
Crystal structure of N-terminal region of Type III Secretion Major Translocator SipB (residues 82-226)
分子名称: Cell invasion protein sipB
著者Barta, M.L, Dickenson, N.E, Patel, M, Keightley, J.A, Picking, W.D, Picking, W.L, Geisbrecht, B.V.
登録日2011-09-16
公開日2012-02-15
最終更新日2012-03-28
実験手法X-RAY DIFFRACTION (2.793 Å)
主引用文献The Structures of Coiled-Coil Domains from Type III Secretion System Translocators Reveal Homology to Pore-Forming Toxins.
J.Mol.Biol., 417, 2012
2NNQ
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BU of 2nnq by Molmil
Crystal structure of human adipocyte fatty acid binding protein in complex with ((2'-(5-ethyl-3,4-diphenyl-1H-pyrazol-1-yl)-3-biphenylyl)oxy)acetic acid
分子名称: ((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPHENYLYL)OXY)ACETIC ACID, Fatty acid-binding protein, adipocyte, ...
著者Jacobson, B.L.
登録日2006-10-24
公開日2007-06-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Potent and selective biphenyl azole inhibitors of adipocyte fatty acid binding protein (aFABP).
Bioorg.Med.Chem.Lett., 17, 2007
1GG0
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BU of 1gg0 by Molmil
CRYSTAL STRUCTURE ANALYSIS OF KDOP SYNTHASE AT 3.0 A
分子名称: 3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE SYNTHASE, PHOSPHATE ION
著者Wagner, T, Kretsinger, R.H, Bauerle, R, Tolbert, W.D.
登録日2000-08-04
公開日2000-10-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献3-Deoxy-D-manno-octulosonate-8-phosphate synthase from Escherichia coli. Model of binding of phosphoenolpyruvate and D-arabinose-5-phosphate.
J.Mol.Biol., 301, 2000
6G4U
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BU of 6g4u by Molmil
The solution NMR structure of brevinin-1BYa in dodecylphosphocholine micelles
分子名称: Brevinin-1BYa
著者Timmons, P.B, O'Flynn, D.P, Conlon, J.M, Hewage, C.M.
登録日2018-03-28
公開日2019-10-16
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural and positional studies of the antimicrobial peptide brevinin-1BYa in membrane-mimetic environments.
J.Pept.Sci., 25, 2019
6G4I
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BU of 6g4i by Molmil
The solution NMR structure of brevinin-1BYa in 33% trifluoroethanol
分子名称: Brevinin-1BYa
著者Timmons, P.B, O'Flynn, D.P, Conlon, J.M, Hewage, C.M.
登録日2018-03-27
公開日2019-10-09
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural and positional studies of the antimicrobial peptide brevinin-1BYa in membrane-mimetic environments.
J.Pept.Sci., 25, 2019
6G4K
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BU of 6g4k by Molmil
The solution NMR structure of brevinin-1BYa in sodium dodecyl sulphate micelles
分子名称: Brevinin-1BYa
著者Timmons, P.B, O'Flynn, D.P, Conlon, J.M, Hewage, C.M.
登録日2018-03-27
公開日2019-10-09
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural and positional studies of the antimicrobial peptide brevinin-1BYa in membrane-mimetic environments.
J.Pept.Sci., 25, 2019
6G4V
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BU of 6g4v by Molmil
The solution NMR structure of [C18S,C24S]brevinin-1BYa in 33% trifluoroethanol
分子名称: [C18S,C24S]brevinin-1BYa
著者Timmons, P.B, O'Flynn, D.P, Conlon, J.M, Hewage, C.M.
登録日2018-03-28
公開日2019-10-16
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Insights into conformation and membrane interactions of the acyclic and dicarba-bridged brevinin-1BYa antimicrobial peptides.
Eur.Biophys.J., 48, 2019
6G4X
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BU of 6g4x by Molmil
The solution NMR structure of [C18S,C24S]brevinin-1BYa in sodium dodecyl sulphate micelles
分子名称: [C18S,C24S]brevinin-1BYa
著者Timmons, P.B, O'Flynn, D.P, Conlon, J.M, Hewage, C.M.
登録日2018-03-28
公開日2019-10-16
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Insights into conformation and membrane interactions of the acyclic and dicarba-bridged brevinin-1BYa antimicrobial peptides.
Eur.Biophys.J., 48, 2019
6R95
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BU of 6r95 by Molmil
The solution NMR structure of cis-dicarba-brevinin-1BYa in 33% trifluoroethanol
分子名称: Brevinin-1BYa
著者Timmons, P.B, O'Flynn, D.P, Conlon, J.M, Hewage, C.M.
登録日2019-04-02
公開日2019-09-25
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Insights into conformation and membrane interactions of the acyclic and dicarba-bridged brevinin-1BYa antimicrobial peptides.
Eur.Biophys.J., 48, 2019
6R96
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BU of 6r96 by Molmil
The solution NMR structure of cis-dicarba-brevinin-1BYa in sodium dodecyl sulphate micelles
分子名称: Brevinin-1BYa
著者Timmons, P.B, O'Flynn, D.P, Conlon, J.M, Hewage, C.M.
登録日2019-04-02
公開日2019-09-25
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Insights into conformation and membrane interactions of the acyclic and dicarba-bridged brevinin-1BYa antimicrobial peptides.
Eur.Biophys.J., 48, 2019
3EM2
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BU of 3em2 by Molmil
A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine BSU-6038
分子名称: 3,6-Bis[(3-morpholinopropionamido)] acridine, 5'-D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3', POTASSIUM ION
著者Campbell, N.H, Parkinson, G, Neidle, S.
登録日2008-09-23
公開日2008-10-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Selectivity in Ligand Recognition of G-Quadruplex Loops.
Biochemistry, 48, 2009
3EQW
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BU of 3eqw by Molmil
A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine BSU-6042 in small unit cell
分子名称: 3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridine, 5'-D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3', POTASSIUM ION
著者Campbell, N.H, Parkinson, G, Neidle, S.
登録日2008-10-01
公開日2008-10-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Selectivity in Ligand Recognition of G-Quadruplex Loops.
Biochemistry, 48, 2009
3ET8
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BU of 3et8 by Molmil
A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine BSU-6054
分子名称: 3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridine, 5'-D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3', POTASSIUM ION
著者Campbell, N.H, Parkinson, G, Neidle, S.
登録日2008-10-07
公開日2008-10-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Selectivity in Ligand Recognition of G-Quadruplex Loops.
Biochemistry, 48, 2009
3EUM
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BU of 3eum by Molmil
A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine BSU-6066
分子名称: 3,6-Bis[3-(azepan-1-yl)propionamido]acridine, 5'-D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3', POTASSIUM ION
著者Campbell, N.H, Parkinson, G, Neidle, S.
登録日2008-10-10
公開日2008-10-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Selectivity in Ligand Recognition of G-Quadruplex Loops.
Biochemistry, 48, 2009
3EUI
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BU of 3eui by Molmil
A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine BSU-6042 in a large unit cell
分子名称: 3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridine, 3-[(2R)-2-ethylpiperidin-1-yl]-N-[6-({3-[(2S)-2-ethylpiperidin-1-yl]propanoyl}amino)acridin-3-yl]propanamide, 5'-D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3', ...
著者Campbell, N.H, Parkinson, G, Neidle, S.
登録日2008-10-10
公開日2008-12-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Selectivity in Ligand Recognition of G-Quadruplex Loops.
Biochemistry, 48, 2009
3ERU
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BU of 3eru by Molmil
A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine BSU-6045
分子名称: 3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridine, 5'-D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3', POTASSIUM ION
著者Campbell, N.H, Parkinson, G, Neidle, S.
登録日2008-10-03
公開日2008-10-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Selectivity in Ligand Recognition of G-Quadruplex Loops.
Biochemistry, 48, 2009
3ES0
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BU of 3es0 by Molmil
A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine BSU-6048
分子名称: 3,6-Bis[3-(4-methylpiperidino)propionamido]acridine, 5'-D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3', POTASSIUM ION
著者Campbell, N.H, Parkinson, G, Neidle, S.
登録日2008-10-03
公開日2008-10-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Selectivity in Ligand Recognition of G-Quadruplex Loops.
Biochemistry, 48, 2009
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