Author results

3SVG
  • Download 3svg
  • View 3svg
Molmil generated image of 3svg
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A 3,5-DIMETHYLISOXAZOL LIGAND
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, (1R)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]ethanol
Authors:Filippakopoulos, P., Picaud, S., Felletar, I., Hewings, S.D., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Conway, S.J., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2011-07-12
Release date:2011-08-10
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand
TO BE PUBLISHED
3SVH
  • Download 3svh
  • View 3svh
Molmil generated image of 3svh
CRYSTAL STRUCTURE OF THE BROMDOMAIN OF HUMAN CREBBP IN COMPLEX WITH A 3,5-DIMETHYLISOXAZOL LIGAND
Descriptor:CREB-binding protein, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxybenzoic acid, 1,2-ETHANEDIOL
Authors:Filippakopoulos, P., Picaud, S., Felletar, I., Hewings, S.D., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Conway, S.J., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2011-07-12
Release date:2011-08-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of the bromdomain of human CREBBP in complex with a 3,5-dimethylisoxazol ligand
To be Published
4J0R
  • Download 4j0r
  • View 4j0r
Molmil generated image of 4j0r
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A 3,5-DIMETHYLISOXAZOL LIGAND
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(R)-hydroxy(phenyl)methyl]phenol, ...
Authors:Filippakopoulos, P., Picaud, S., Qi, J., Felletar, I., Hewings, D.S., von Delft, F., Conway, S.J., Bountra, C., Arrowsmith, C.H., Edwards, A., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2013-01-31
Release date:2013-02-13
Last modified:2013-05-29
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands.
J.Med.Chem., 56, 2013
4J0S
  • Download 4j0s
  • View 4j0s
Molmil generated image of 4j0s
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A 3,5-DIMETHYLISOXAZOL LIGAND
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(S)-hydroxy(phenyl)methyl]phenol
Authors:Filippakopoulos, P., Picaud, S., Qi, J., Felletar, I., Hewings, D.S., von Delft, F., Conway, S.J., Bountra, C., Arrowsmith, C.H., Edwards, A., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2013-01-31
Release date:2013-02-13
Last modified:2013-05-29
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands.
J.Med.Chem., 56, 2013
4NYW
  • Download 4nyw
  • View 4nyw
Molmil generated image of 4nyw
CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN CREBBP IN COMPLEX WITH A DIHYDROQUINOXALINONE LIGAND
Descriptor:CREB-binding protein, THIOCYANATE ION, (3R)-N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide, ...
Authors:Filippakopoulos, P., Picaud, S., Felletar, I., Rooney, T.P.C., Fedorov, O., Martin, S., Monteiro, O.P., Conway, S.J., von Delft, F., Brennan, P., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2013-12-11
Release date:2014-01-29
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand
TO BE PUBLISHED
4NYX
  • Download 4nyx
  • View 4nyx
Molmil generated image of 4nyx
CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN CREBBP IN COMPLEX WITH A DIHYDROQUINOXALINONE LIGAND
Descriptor:CREB-binding protein, (3R)-N-[3-(7-methoxy-3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
Authors:Filippakopoulos, P., Picaud, S., Felletar, I., Rooney, T.P.C., Fedorov, O., Martin, S., Monteiro, O.P., Conway, S.J., von Delft, F., Brennan, P., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2013-12-11
Release date:2014-01-29
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand
TO BE PUBLISHED
6FSY
  • Download 6fsy
  • View 6fsy
Molmil generated image of 6fsy
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A 3,5-DIMETHYLISOXAZOL LIGAND
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{R})-oxidanyl(pyridin-3-yl)methyl]phenol
Authors:Filippakopoulos, P., Picaud, S., Conway, S.J., Pike, A.C.W., Krojer, T., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Structural Genomics Consortium (SGC)
Deposit date:2018-02-20
Release date:2018-04-18
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:BET bromodomain ligands: Probing the WPF shelf to improve BRD4 bromodomain affinity and metabolic stability.
Bioorg.Med.Chem., 26, 2018
6FT3
  • Download 6ft3
  • View 6ft3
Molmil generated image of 6ft3
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A 3,5-DIMETHYLISOXAZOL LIGAND
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, 3-[(~{R})-cyclopropyl(oxidanyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
Authors:Filippakopoulos, P., Picaud, S., Pike, A.C.W., Krojer, T., Conway, S.J., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Structural Genomics Consortium (SGC)
Deposit date:2018-02-20
Release date:2018-04-18
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:BET bromodomain ligands: Probing the WPF shelf to improve BRD4 bromodomain affinity and metabolic stability.
Bioorg.Med.Chem., 26, 2018
6FT4
  • Download 6ft4
  • View 6ft4
Molmil generated image of 6ft4
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A 3,5-DIMETHYLISOXAZOL LIGAND
Descriptor:Bromodomain-containing protein 4, 3-[[4,4-bis(fluoranyl)piperidin-1-yl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
Authors:Filippakopoulos, P., Picaud, S., Pike, A.C.W., Krojer, T., Conway, S.J., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C.
Deposit date:2018-02-20
Release date:2018-04-18
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:BET bromodomain ligands: Probing the WPF shelf to improve BRD4 bromodomain affinity and metabolic stability.
Bioorg.Med.Chem., 26, 2018
3L9W
  • Download 3l9w
  • View 3l9w
Molmil generated image of 3l9w
KEFC C-TERMINAL DOMAIN IN COMPLEX WITH KEFF AND GSH
Descriptor:Glutathione-regulated potassium-efflux system protein kefC, linker, ancillary protein kefF, ...
Authors:Roosild, T.P.
Deposit date:2010-01-05
Release date:2010-11-17
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Mechanism of ligand-gated potassium efflux in bacterial pathogens.
Proc.Natl.Acad.Sci.USA, 107, 2010
3L9X
  • Download 3l9x
  • View 3l9x
Molmil generated image of 3l9x
KEFC C-TERMINAL DOMAIN IN COMPLEX WITH KEFF AND ESG
Descriptor:Glutathione-regulated potassium-efflux system protein kefC, linker, ancillary protein kefF, ...
Authors:Roosild, T.P.
Deposit date:2010-01-05
Release date:2010-11-17
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanism of ligand-gated potassium efflux in bacterial pathogens.
Proc.Natl.Acad.Sci.USA, 107, 2010
5K21
  • Download 5k21
  • View 5k21
Molmil generated image of 5k21
PYOCYANIN DEMETHYLASE
Descriptor:Pyocyanin demethylase, phenazin-1-ol, CALCIUM ION
Authors:Costa, K.C., Glasser, N.R., Newman, D.K.
Deposit date:2016-05-18
Release date:2016-12-07
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Pyocyanin degradation by a tautomerizing demethylase inhibits Pseudomonas aeruginosa biofilms.
Science, 355, 2017
5NC8
  • Download 5nc8
  • View 5nc8
Molmil generated image of 5nc8
SHEWANELLA DENITRIFICANS KEF CTD IN AMP BOUND FORM
Descriptor:Potassium efflux system protein, ADENOSINE MONOPHOSPHATE
Authors:Pliotas, C., Naismith, J.H.
Deposit date:2017-03-03
Release date:2017-04-12
Last modified:2017-12-06
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Adenosine Monophosphate Binding Stabilizes the KTN Domain of the Shewanella denitrificans Kef Potassium Efflux System.
Biochemistry, 56, 2017