Author results

5ETD
  • Download 5etd
  • View 5etd
Molmil generated image of 5etd
CRYSTAL STRUCTURE OF THE HUMAN BRPF1 BROMODOMAIN IN COMPLEX WITH SEED14
Descriptor:Peregrin, 1-(1~{H}-indol-3-yl)ethanone, NITRATE ION
Authors:Zhu, J., Caflisch, A.
Deposit date:2015-11-17
Release date:2016-05-25
Last modified:2016-06-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
5EV9
  • Download 5ev9
  • View 5ev9
Molmil generated image of 5ev9
CRYSTAL STRUCTURE OF THE HUMAN BRPF1 BROMODOMAIN IN COMPLEX WITH SEED15
Descriptor:Peregrin, ~{N}-[5-(1~{H}-pyrazol-4-yl)quinolin-8-yl]ethanamide, NITRATE ION
Authors:Zhu, J., Caflisch, A.
Deposit date:2015-11-19
Release date:2016-06-08
Last modified:2016-06-22
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
5EVA
  • Download 5eva
  • View 5eva
Molmil generated image of 5eva
CRYSTAL STRUCTURE OF THE HUMAN BRPF1 BROMODOMAIN IN COMPLEX WITH SEED16
Descriptor:Peregrin, ~{N}-[2,4-bis(fluoranyl)phenyl]-2-methyl-pyrazole-3-carboxamide, NITRATE ION
Authors:Zhu, J., Caflisch, A.
Deposit date:2015-11-19
Release date:2016-06-08
Last modified:2016-06-22
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
5EWC
  • Download 5ewc
  • View 5ewc
Molmil generated image of 5ewc
CRYSTAL STRUCTURE OF THE HUMAN BRPF1 BROMODOMAIN IN COMPLEX WITH SEED17
Descriptor:Peregrin, ethyl (2~{R})-2-methyl-3-oxidanylidene-2,4-dihydro-1~{H}-quinoxaline-6-carboxylate, NITRATE ION
Authors:Zhu, J., Caflisch, A.
Deposit date:2015-11-20
Release date:2016-05-25
Last modified:2016-06-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
5EWH
  • Download 5ewh
  • View 5ewh
Molmil generated image of 5ewh
CRYSTAL STRUCTURE OF THE HUMAN BRPF1 BROMODOMAIN IN COMPLEX WITH SEED19
Descriptor:Peregrin, isoquinolin-5-ol, NITRATE ION
Authors:Zhu, J., Caflisch, A.
Deposit date:2015-11-20
Release date:2016-06-08
Last modified:2016-06-22
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
5EWV
  • Download 5ewv
  • View 5ewv
Molmil generated image of 5ewv
CRYSTAL STRUCTURE OF THE HUMAN BRPF1 BROMODOMAIN IN COMPLEX WITH SEED20
Descriptor:Peregrin, 1,5-dimethyl-[1,2,4]triazolo[4,3-a]quinoline, NITRATE ION
Authors:Zhu, J., Wiedmer, L., Caflisch, A.
Deposit date:2015-11-21
Release date:2016-11-02
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Crystal structure of the human BRPF1 bromodomain in complex with SEED20
To Be Published
5EWW
  • Download 5eww
  • View 5eww
Molmil generated image of 5eww
CRYSTAL STRUCTURE OF THE HUMAN BRPF1 BROMODOMAIN IN COMPLEX WITH SEED21
Descriptor:Peregrin, ~{N}-[(2~{R})-butan-2-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine, NITRATE ION
Authors:Zhu, J., Wiedmer, L., Caflisch, A.
Deposit date:2015-11-21
Release date:2016-11-02
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal structure of the human BRPF1 bromodomain in complex with SEED21
To Be Published
5MWG
  • Download 5mwg
  • View 5mwg
Molmil generated image of 5mwg
CRYSTAL STRUCTURE OF THE HUMAN BRPF1 BROMODOMAIN IN COMPLEX WITH BZ091
Descriptor:Peregrin, ~{N}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide, NITRATE ION
Authors:Zhu, J., Caflisch, A.
Deposit date:2017-01-18
Release date:2018-02-14
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5MWH
  • Download 5mwh
  • View 5mwh
Molmil generated image of 5mwh
CRYSTAL STRUCTURE OF THE HUMAN BRPF1 BROMODOMAIN IN COMPLEX WITH BZ089
Descriptor:Peregrin, ~{N}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide, NITRATE ION
Authors:Zhu, J., Caflisch, A.
Deposit date:2017-01-18
Release date:2018-02-14
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5MWZ
  • Download 5mwz
  • View 5mwz
Molmil generated image of 5mwz
CRYSTAL STRUCTURE OF THE HUMAN BRPF1 BROMODOMAIN IN COMPLEX WITH BZ073
Descriptor:Peregrin, ~{N}-[1,4-diethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-2-(4-methylpiperazin-1-yl)ethanamide
Authors:Zhu, J., Caflisch, A.
Deposit date:2017-01-20
Release date:2018-02-14
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5O4S
  • Download 5o4s
  • View 5o4s
Molmil generated image of 5o4s
CRYSTAL STRUCTURE OF THE HUMAN BRPF1 BROMODOMAIN IN COMPLEX WITH BZ135
Descriptor:Peregrin, ~{N}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide, NITRATE ION
Authors:Zhu, J., Caflisch, A.
Deposit date:2017-05-30
Release date:2018-06-13
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5O4T
  • Download 5o4t
  • View 5o4t
Molmil generated image of 5o4t
CRYSTAL STRUCTURE OF THE HUMAN BRPF1 BROMODOMAIN IN COMPLEX WITH BZ061
Descriptor:Peregrin, 1,4-dimethylquinoxaline-2,3-dione
Authors:Zhu, J., Caflisch, A.
Deposit date:2017-05-30
Release date:2018-06-13
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5O55
  • Download 5o55
  • View 5o55
Molmil generated image of 5o55
CRYSTAL STRUCTURE OF THE HUMAN BRPF1 BROMODOMAIN IN COMPLEX WITH BZ047
Descriptor:Peregrin, NITRATE ION, ~{N}-[(1~{S})-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-2-oxidanylidene-quinoxaline-6-carboxamide
Authors:Zhu, J., Caflisch, A.
Deposit date:2017-05-31
Release date:2018-06-13
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5O5A
  • Download 5o5a
  • View 5o5a
Molmil generated image of 5o5a
CRYSTAL STRUCTURE OF THE HUMAN BRPF1 BROMODOMAIN IN COMPLEX WITH BZ032
Descriptor:Peregrin, NITRATE ION, 1-ethyl-~{N}-methyl-2,3-bis(oxidanylidene)-~{N}-[(1-phenylpyrazol-4-yl)methyl]-4~{H}-quinoxaline-6-carboxamide
Authors:Zhu, J., Caflisch, A.
Deposit date:2017-06-01
Release date:2018-06-13
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5O5F
  • Download 5o5f
  • View 5o5f
Molmil generated image of 5o5f
CRYSTAL STRUCTURE OF THE HUMAN BRPF1 BROMODOMAIN IN COMPLEX WITH BZ038
Descriptor:Peregrin, 1-ethyl-~{N}-[(~{R})-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3-bis(oxidanylidene)-4~{H}-quinoxaline-6-carboxamide, NITRATE ION
Authors:Zhu, J., Caflisch, A.
Deposit date:2017-06-01
Release date:2018-06-13
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.302 Å)
Cite:Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5O5H
  • Download 5o5h
  • View 5o5h
Molmil generated image of 5o5h
CRYSTAL STRUCTURE OF THE HUMAN BRPF1 BROMODOMAIN IN COMPLEX WITH BZ053
Descriptor:Peregrin, ~{N}-[6-(4-chloranylphenoxy)pyridin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide, NITRATE ION
Authors:Zhu, J., Caflisch, A.
Deposit date:2017-06-01
Release date:2018-06-13
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5O97
  • Download 5o97
  • View 5o97
Molmil generated image of 5o97
CRYSTAL STRUCTURE OF HUMAN BRD4(1) BROMODOMAIN IN COMPLEX WITH JRMBR4106
Descriptor:Bromodomain-containing protein 4, (5~{Z})-4-azanyl-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazol-2-one, 1,2-ETHANEDIOL
Authors:Zhu, J., Marchand, J.R., Caflisch, A.
Deposit date:2017-06-15
Release date:2018-06-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of human BRD4(1) bromodomain in complex with JRMBR4106
To Be Published
5OV8
  • Download 5ov8
  • View 5ov8
Molmil generated image of 5ov8
CRYSTAL STRUCTURE OF THE HUMAN BRPF1 BROMODOMAIN IN COMPLEX WITH BZ097
Descriptor:Peregrin, ~{N}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-pyrrolidin-1-yl-quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide, NITRATE ION
Authors:Zhu, J., Caflisch, A.
Deposit date:2017-08-28
Release date:2018-06-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5OVB
  • Download 5ovb
  • View 5ovb
Molmil generated image of 5ovb
CRYSTAL STRUCTURE OF HUMAN BRD4(1) BROMODOMAIN IN COMPLEX WITH DR46
Descriptor:Bromodomain-containing protein 4, ~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide
Authors:Zhu, J., Caflisch, A.
Deposit date:2017-08-28
Release date:2018-10-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of human BRD4(1) bromodomain in complex with DR46
To Be Published
5OWA
  • Download 5owa
  • View 5owa
Molmil generated image of 5owa
CRYSTAL STRUCTURE OF THE HUMAN BRPF1 BROMODOMAIN IN COMPLEX WITH BZ054
Descriptor:Peregrin, ~{N}-[4-[[(3~{S},5~{R})-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
Authors:Zhu, J., Caflisch, A.
Deposit date:2017-08-31
Release date:2018-06-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5OWB
  • Download 5owb
  • View 5owb
Molmil generated image of 5owb
CRYSTAL STRUCTURE OF THE HUMAN BRPF1 BROMODOMAIN IN COMPLEX WITH DSPBP1004
Descriptor:Peregrin, NITRATE ION, 4-methyl-6-oxidanyl-1-benzofuran-3-one
Authors:Zhu, J., Spiliotopoulos, D., Caflisch, A.
Deposit date:2017-08-31
Release date:2018-07-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the human BRPF1 bromodomain in complex with DSPBP1004
To Be Published
5OWE
  • Download 5owe
  • View 5owe
Molmil generated image of 5owe
CRYSTAL STRUCTURE OF THE HUMAN BRPF1 BROMODOMAIN IN COMPLEX WITH DSPBP1010
Descriptor:Peregrin, 1,3-bis(oxidanyl)benzo[c]chromen-6-one, NITRATE ION
Authors:Zhu, J., Spiliotopoulos, D., Caflisch, A.
Deposit date:2017-08-31
Release date:2018-10-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the human BRPF1 bromodomain in complex with DSPBP1010
To Be Published
5OWM
  • Download 5owm
  • View 5owm
Molmil generated image of 5owm
CRYSTAL STRUCTURE OF HUMAN BRD4(1) BROMODOMAIN IN COMPLEX WITH UT48
Descriptor:Bromodomain-containing protein 4, [3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol
Authors:Zhu, J., Caflisch, A.
Deposit date:2017-09-01
Release date:2018-10-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of human BRD4(1) bromodomain in complex with UT48
To Be Published
5OWW
  • Download 5oww
  • View 5oww
Molmil generated image of 5oww
CRYSTAL STRUCTURE OF HUMAN BRD4(1) BROMODOMAIN IN COMPLEX WITH UT22B
Descriptor:Bromodomain-containing protein 4, ~{N}-(3-methylbenzotriazol-5-yl)-1-(phenylmethyl)imidazole-2-carboxamide
Authors:Zhu, J., Caflisch, A.
Deposit date:2017-09-04
Release date:2018-10-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of human BRD4(1) bromodomain in complex with UT22B
To Be Published
5YPO
  • Download 5ypo
  • View 5ypo
Molmil generated image of 5ypo
CRYSTAL STRUCTURE OF PSD-95 GK DOMAIN IN COMPLEX WITH PHOSPHO-SAPAP PEPTIDE
Descriptor:Disks large homolog 4, SAPAP, GLYCEROL
Authors:Zhu, J., Zhou, Q., Shang, Y., Weng, Z., Zhang, R., Zhang, M.
Deposit date:2017-11-02
Release date:2018-03-14
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Synaptic Targeting and Function of SAPAPs Mediated by Phosphorylation-Dependent Binding to PSD-95 MAGUKs.
Cell Rep, 21, 2017