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7KIW
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BU of 7kiw by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with zidebactam
Descriptor: (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, Peptidoglycan D,D-transpeptidase FtsI
Authors:van den Akker, F, Kumar, V.
Deposit date:2020-10-25
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.49 Å)
Cite: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
Descriptor: (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
Authors:Hruza, A, Hruza, A.
Deposit date:2018-03-14
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: Agglutinin receptor, CALCIUM ION
Authors:Schormann, N, Deivanayagam, C.
Deposit date:2020-12-11
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and functional analysis of the C-terminal region of Streptococcus gordonii SspB.
Acta Crystallogr D Struct Biol, 77, 2021
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
Descriptor: ((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPHENYLYL)OXY)ACETIC ACID, Fatty acid-binding protein, adipocyte, ...
Authors:Jacobson, B.L.
Deposit date:2006-10-24
Release date:2007-06-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE SYNTHASE, PHOSPHATE ION
Authors:Wagner, T, Kretsinger, R.H, Bauerle, R, Tolbert, W.D.
Deposit date:2000-08-04
Release date:2000-10-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: Brevinin-1BYa
Authors:Timmons, P.B, O'Flynn, D.P, Conlon, J.M, Hewage, C.M.
Deposit date:2018-03-28
Release date:2019-10-16
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
Descriptor: Brevinin-1BYa
Authors:Timmons, P.B, O'Flynn, D.P, Conlon, J.M, Hewage, C.M.
Deposit date:2018-03-27
Release date:2019-10-09
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
Descriptor: Brevinin-1BYa
Authors:Timmons, P.B, O'Flynn, D.P, Conlon, J.M, Hewage, C.M.
Deposit date:2018-03-27
Release date:2019-10-09
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
Descriptor: [C18S,C24S]brevinin-1BYa
Authors:Timmons, P.B, O'Flynn, D.P, Conlon, J.M, Hewage, C.M.
Deposit date:2018-03-28
Release date:2019-10-16
Last modified:2024-06-19
Method:SOLUTION NMR
Cite: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
Descriptor: [C18S,C24S]brevinin-1BYa
Authors:Timmons, P.B, O'Flynn, D.P, Conlon, J.M, Hewage, C.M.
Deposit date:2018-03-28
Release date:2019-10-16
Last modified:2024-06-19
Method:SOLUTION NMR
Cite: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
Descriptor: 3,6-Bis[(3-morpholinopropionamido)] acridine, 5'-D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3', POTASSIUM ION
Authors:Campbell, N.H, Parkinson, G, Neidle, S.
Deposit date:2008-09-23
Release date:2008-10-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 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
Authors:Campbell, N.H, Parkinson, G, Neidle, S.
Deposit date:2008-10-07
Release date:2008-10-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite: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
Descriptor: 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
Authors:Campbell, N.H, Parkinson, G, Neidle, S.
Deposit date:2008-10-01
Release date:2008-10-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 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
Authors:Campbell, N.H, Parkinson, G, Neidle, S.
Deposit date:2008-10-10
Release date:2008-10-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite: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
Descriptor: 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', ...
Authors:Campbell, N.H, Parkinson, G, Neidle, S.
Deposit date:2008-10-10
Release date:2008-12-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 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
Authors:Campbell, N.H, Parkinson, G, Neidle, S.
Deposit date:2008-10-03
Release date:2008-10-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 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
Authors:Campbell, N.H, Parkinson, G, Neidle, S.
Deposit date:2008-10-03
Release date:2008-10-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Selectivity in Ligand Recognition of G-Quadruplex Loops.
Biochemistry, 48, 2009
6R95
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BU of 6r95 by Molmil
The solution NMR structure of cis-dicarba-brevinin-1BYa in 33% trifluoroethanol
Descriptor: Brevinin-1BYa
Authors:Timmons, P.B, O'Flynn, D.P, Conlon, J.M, Hewage, C.M.
Deposit date:2019-04-02
Release date:2019-09-25
Last modified:2023-11-15
Method:SOLUTION NMR
Cite: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
Descriptor: Brevinin-1BYa
Authors:Timmons, P.B, O'Flynn, D.P, Conlon, J.M, Hewage, C.M.
Deposit date:2019-04-02
Release date:2019-09-25
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Insights into conformation and membrane interactions of the acyclic and dicarba-bridged brevinin-1BYa antimicrobial peptides.
Eur.Biophys.J., 48, 2019
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)
Descriptor: Cell invasion protein sipB
Authors:Barta, M.L, Dickenson, N.E, Patel, M, Keightley, J.A, Picking, W.D, Picking, W.L, Geisbrecht, B.V.
Deposit date:2011-09-16
Release date:2012-02-15
Last modified:2012-03-28
Method:X-RAY DIFFRACTION (2.793 Å)
Cite:The Structures of Coiled-Coil Domains from Type III Secretion System Translocators Reveal Homology to Pore-Forming Toxins.
J.Mol.Biol., 417, 2012
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