Author results

4DON
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BRD4 BROMODOMAIN 1 COMPLEX WITH A FRAGMENT 3,4-DIHYDRO-3-METHYL-2(1H)-QUINAZOLINON
Descriptor:Bromodomain-containing protein 4, 3-methyl-3,4-dihydroquinazolin-2(1H)-one
Authors:Xiong, B., Cao, D.Y., Chen, W.Y., Chen, T.T., Xu, Y.C., Shen, J.K.
Deposit date:2012-02-09
Release date:2013-02-13
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Brd4 Bromodomain 1 complex with a fragment 3,4-Dihydro-3-methyl-2(1H)-quinazolinon
To be Published
4DSA
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CRYSTAL STRUCTURE OF DPP-IV WITH COMPOUND C1
Descriptor:Dipeptidyl peptidase 4, 4-[({[(2R)-2-amino-3-(2,4,5-trifluorophenyl)propyl]sulfamoyl}amino)methyl]benzenesulfonamide
Authors:Xiong, B., Zhu, L.R., Chen, D.Q., Zhao, Y.L., Jiang, F., Shen, J.K.
Deposit date:2012-02-18
Release date:2013-02-27
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Crystal Structure of DPP-IV with Compound C1
To be Published
4DSZ
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CRYSTAL STRUCTURE OF DPP-IV WITH COMPOUND C2
Descriptor:Dipeptidyl peptidase 4, (2R)-4-[4-(3-methylphenyl)-1H-1,2,3-triazol-1-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine
Authors:Xiong, B., Zhu, L.R., Chen, D.Q., Zhao, Y.L., Jiang, F., Shen, J.K.
Deposit date:2012-02-20
Release date:2013-02-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal Structure of DPP-IV with Compound C2
To be Published
4DTC
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CRYSTAL STRUCTURE OF DPP-IV WITH COMPOUND C5
Descriptor:Dipeptidyl peptidase 4, N-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-3'-(trifluoromethyl)biphenyl-4-carboxamide
Authors:Xiong, B., Zhu, L.R., Chen, D.Q., Zhao, Y.L., Jiang, F., Shen, J.K.
Deposit date:2012-02-21
Release date:2013-02-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure of DPP-IV with Compound C5
To be Published
4HXK
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BRD4 BROMODOMAIN 1 COMPLEX WITH 6,7-DIHYDROTHIENO[3,2-C]PYRIDIN-5(4H)-YL(1H-IMIDAZOL-1-YL)METHANONE INHIBITOR
Descriptor:Bromodomain-containing protein 4, 6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl(1H-imidazol-1-yl)methanone
Authors:Chen, T.T., Cao, D.Y., Chen, W.Y., Xiong, B., Shen, J.K., Xu, Y.C.
Deposit date:2012-11-12
Release date:2013-04-03
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
4HXL
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BRD4 BROMODOMAIN 1 COMPLEX WITH 3-CYCLOHEXYL-N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}PROPANAMIDE INHIBITOR
Descriptor:Bromodomain-containing protein 4, 3-cyclohexyl-N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}propanamide
Authors:Chen, T.T., Cao, D.Y., Chen, W.Y., Xiong, B., Shen, J.K., Xu, Y.C.
Deposit date:2012-11-12
Release date:2013-04-03
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
4HXM
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BRD4 BROMODOMAIN 1 COMPLEX WITH N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}BUTANAMIDE INHIBITOR
Descriptor:Bromodomain-containing protein 4, N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}butanamide
Authors:Chen, T.T., Cao, D.Y., Chen, W.Y., Xiong, B., Shen, J.K., Xu, Y.C.
Deposit date:2012-11-12
Release date:2013-04-03
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
4HXN
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BRD4 BROMODOMAIN 1 COMPLEX WITH 4-(2-FLUOROPHENYL)-1,3-THIAZOL-2(3H)-ONE INHIBITOR
Descriptor:Bromodomain-containing protein 4, 4-(2-fluorophenyl)-1,3-thiazol-2(3H)-one
Authors:Chen, T.T., Cao, D.Y., Chen, W.Y., Xiong, B., Shen, J.K., Xu, Y.C.
Deposit date:2012-11-12
Release date:2013-04-03
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
4HXO
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BRD4 BROMODOMAIN 1 COMPLEX WITH 3-{[(3-METHYL-1,2-OXAZOL-5-YL)METHYL]SULFANYL}[1,2,4]TRIAZOLO[4,3-A]PYRIDINE INHIBITOR
Descriptor:Bromodomain-containing protein 4, 3-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine
Authors:Chen, T.T., Cao, D.Y., Chen, W.Y., Xiong, B., Shen, J.K., Xu, Y.C.
Deposit date:2012-11-12
Release date:2013-04-03
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
4HXP
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BRD4 BROMODOMAIN 1 COMPLEX WITH 4-(2-OXO-1,3-OXAZOLIDIN-3-YL)BENZAMIDE INHIBITOR
Descriptor:Bromodomain-containing protein 4, 4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
Authors:Chen, T.T., Cao, D.Y., Chen, W.Y., Xiong, B., Shen, J.K., Xu, Y.C.
Deposit date:2012-11-12
Release date:2013-04-03
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
4HXR
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BRD4 BROMODOMAIN 1 COMPLEX WITH N-[3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)PHENYL]THIOPHENE-2-SULFONAMIDE INHIBITOR
Descriptor:Bromodomain-containing protein 4, N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide
Authors:Chen, T.T., Cao, D.Y., Chen, W.Y., Xiong, B., Shen, J.K., Xu, Y.C.
Deposit date:2012-11-12
Release date:2013-04-03
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
4HXS
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BRD4 BROMODOMAIN 1 COMPLEX WITH N-[3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)PHENYL]-1-PHENYLMETHANESULFONAMIDE INHIBITOR
Descriptor:Bromodomain-containing protein 4, N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]-1-phenylmethanesulfonamide
Authors:Chen, T.T., Cao, D.Y., Chen, W.Y., Xiong, B., Shen, J.K., Xu, Y.C.
Deposit date:2012-11-12
Release date:2013-04-03
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
4J3J
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CRYSTAL STRUCTURE OF DPP-IV WITH COMPOUND C3
Descriptor:Dipeptidyl peptidase 4, N-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-6-(trifluoromethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide
Authors:Xiong, B., Zhu, L.R., Chen, D.Q., Zhao, Y.L., Jiang, F., Shen, J.K.
Deposit date:2013-02-05
Release date:2014-02-05
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Design and synthesis of 4-(2,4,5-trifluorophenyl)butane-1,3-diamines as dipeptidyl peptidase IV inhibitors
Chemmedchem, 8, 2013