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4JVR
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CO-CRYSTAL STRUCTURE OF MDM2 WITH INHIBITOR (2'S,3R,4'S,5'R)-N-(2-AMINOETHYL)-6-CHLORO-4'-(3-CHLORO-2-FLUOROPHENYL)-2'-(2,2-DIMETHYLPROPYL)-2-OXO-1,2-DIHYDROSPIRO[INDOLE-3,3'-PYRROLIDINE]-5'-CARBOXAMIDE
Descriptor:E3 ubiquitin-protein ligase Mdm2, (2'S,3R,4'S,5'R)-N-(2-aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide
Authors:Huang, X., Gonzalez-Lopez de Turiso, F., Sun, D., Yosup, R., Bartberger, M.D., Beck, H.P., Cannon, J., Shaffer, P., Oliner, J.D., Olson, S.H., Medina, J.C.
Deposit date:2013-03-26
Release date:2013-05-01
Last modified:2013-06-05
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
4OAS
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CO-CRYSTAL STRUCTURE OF MDM2 (17-111) IN COMPLEX WITH COMPOUND 25
Descriptor:E3 ubiquitin-protein ligase Mdm2, [(3R,5R,6S)-1-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid, SULFATE ION
Authors:Huang, X.
Deposit date:2014-01-06
Release date:2014-02-19
Last modified:2014-03-12
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of AMG 232, a Potent, Selective, and Orally Bioavailable MDM2-p53 Inhibitor in Clinical Development.
J.Med.Chem., 57, 2014
4ERE
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CRYSTAL STRUCTURE OF MDM2 (17-111) IN COMPLEX WITH COMPOUND 23
Descriptor:E3 ubiquitin-protein ligase Mdm2, [(3R,5R,6S)-1-[(2S)-1-tert-butoxy-1-oxobutan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxopiperidin-3-yl]acetic acid, SULFATE ION
Authors:Huang, X.
Deposit date:2012-04-20
Release date:2012-05-23
Last modified:2013-01-02
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based design of novel inhibitors of the MDM2-p53 interaction.
J.Med.Chem., 55, 2012
4ERF
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CRYSTAL STRUCTURE OF MDM2 (17-111) IN COMPLEX WITH COMPOUND 29 (AM-8553)
Descriptor:E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S,3S)-2-hydroxypentan-3-yl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
Authors:Huang, X.
Deposit date:2012-04-20
Release date:2012-05-23
Last modified:2013-01-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of novel inhibitors of the MDM2-p53 interaction.
J.Med.Chem., 55, 2012
4JV7
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CO-CRYSTAL STRUCTURE OF MDM2 WITH INHIBITOR (2S,5R,6S)-2-BENZYL-5,6-BIS(4-BROMOPHENYL)-4-METHYLMORPHOLIN-3-ONE
Descriptor:E3 ubiquitin-protein ligase Mdm2, (2S,5R,6S)-2-benzyl-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one, SULFATE ION
Authors:Huang, X., Gonzalez-Lopez de Turiso, F., Sun, D., Yosup, R., Bartberger, M.D., Beck, H.P., Cannon, J., Shaffer, P., Oliner, J.D., Olson, S.H., Medina, J.C.
Deposit date:2013-03-25
Release date:2013-05-01
Last modified:2013-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
3PDJ
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CRYSTAL STRUCTURE OF HUMAN 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 (11B-HSD1) IN COMPLEX WITH 4,4-DISUBSTITUTED CYCLOHEXYLBENZAMIDE INHIBITOR
Descriptor:Corticosteroid 11-beta-dehydrogenase isozyme 1, N-[trans-4-(3-amino-3-oxopropyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wang, Z., Sudom, A., Walker, N.P.
Deposit date:2010-10-22
Release date:2011-10-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Synthesis and Optimization of Novel 4,4-Disubstituted Cyclohexylbenzamide Derivatives as Potent 11beta-HSD1 Inhibitors
Bioorg.Med.Chem.Lett., 21, 2011
4JVE
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CO-CRYSTAL STRUCTURE OF MDM2 WITH INHIBITOR (2R,3E)-2-[(2S,3R,6S)-2,3-BIS(4-CHLOROPHENYL)-6-(4-FLUOROBENZYL)-5-OXOMORPHOLIN-4-YL]PENT-3-ENOIC ACID
Descriptor:E3 ubiquitin-protein ligase Mdm2, (2R,3E)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxomorpholin-4-yl]pent-3-enoic acid
Authors:Huang, X., Gonzalez-Lopez de Turiso, F., Sun, D., Yosup, R., Bartberger, M.D., Beck, H.P., Cannon, J., Shaffer, P., Oliner, J.D., Olson, S.H., Medina, J.C.
Deposit date:2013-03-25
Release date:2013-05-01
Last modified:2013-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
4WWO
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CRYSTAL STRUCTURE OF HUMAN PI3K-GAMMA IN COMPLEX WITH PHENYLQUINOLINE INHIBITOR N-{(1S)-1-[8-CHLORO-2-(3-FLUOROPHENYL)QUINOLIN-3-YL]ETHYL}-9H-PURIN-6-AMINE
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine
Authors:Whittington, D.A., Tang, J., Yakowec, P.
Deposit date:2014-11-11
Release date:2014-12-17
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease.
J.Med.Chem., 58, 2015
4JWR
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CO-CRYSTAL STRUCTURE OF MDM2 WITH INHIBITOR {(2S,5R,6S)-6-(3-CHLOROPHENYL)-5-(4-CHLOROPHENYL)-4-[(2S)-1-HYDROXYBUTAN-2-YL]-3-OXOMORPHOLIN-2-YL}ACETIC ACID
Descriptor:E3 ubiquitin-protein ligase Mdm2, {(2S,5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]-3-oxomorpholin-2-yl}acetic acid
Authors:Shaffer, P.L.
Deposit date:2013-03-27
Release date:2013-05-01
Last modified:2013-06-05
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
4WWP
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CRYSTAL STRUCTURE OF HUMAN PI3K-GAMMA IN COMPLEX WITH PYRIDINYLQUINOLINE INHIBITOR N-{(1S)-1-[8-CHLORO-2-(2-METHYLPYRIDIN-3-YL)QUINOLIN-3-YL]ETHYL}-9H-PURIN-6-AMINE
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, N-{(1S)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine, ...
Authors:Whittington, D.A., Tang, J., Yakowec, P.
Deposit date:2014-11-11
Release date:2014-12-17
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease.
J.Med.Chem., 58, 2015
4JV9
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CO-CRYSTAL STRUCTURE OF MDM2 WITH INHIBITOR (2S,5R,6S)-2-BENZYL-5,6-BIS(4-CHLOROPHENYL)-4-METHYLMORPHOLIN-3-ONE
Descriptor:E3 ubiquitin-protein ligase Mdm2, (2S,5R,6S)-2-benzyl-5,6-bis(4-chlorophenyl)-4-methylmorpholin-3-one, SULFATE ION
Authors:Huang, X., Gonzalez-Lopez de Turiso, F., Sun, D., Yosup, R., Bartberger, M.D., Beck, H.P., Cannon, J., Shaffer, P., Oliner, J.D., Olson, S.H., Medina, J.C.
Deposit date:2013-03-25
Release date:2013-05-01
Last modified:2013-06-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
5KAE
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CRYSTAL STRUCTURE OF HUMAN PI3K-GAMMA IN COMPLEX WITH QUINOLINE-CONTAINING INHIBITOR 5G
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, 4-azanyl-6-[[(1~{S})-1-(6-fluoranyl-3-phenyl-4-piperazin-1-ylcarbonyl-quinolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
Authors:Whittington, D.A., Tang, J., Yakowec, P.
Deposit date:2016-06-01
Release date:2017-06-21
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery and in vivo evaluation of the potent and selective PI3K-delta inhibitors AM-0687 and AM-1430
To Be Published
4WWN
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CRYSTAL STRUCTURE OF HUMAN PI3K-GAMMA IN COMPLEX WITH (S)-N-(1-(7-FLUORO-2-(PYRIDIN-2-YL)QUINOLIN-3-YL)ETHYL)-9H-PURIN-6-AMINE AMG319 INHIBITOR
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, N-{(1S)-1-[7-fluoro-2-(pyridin-2-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine
Authors:Whittington, D.A., Tang, J., Yakowec, P.
Deposit date:2014-11-11
Release date:2014-12-17
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease.
J.Med.Chem., 58, 2015
4FJY
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CRYSTAL STRUCTURE OF PI3K-GAMMA IN COMPLEX WITH QUINOLINE-INDOLINE INHIBITOR 24F
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, 4-[3,3-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1H-indol-1-yl]-7-fluoro-3-methyl-2-(pyridin-3-yl)quinoline
Authors:Whittington, D.A., Tang, J., Yakowec, P.
Deposit date:2012-06-12
Release date:2012-10-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery and in Vivo Evaluation of Dual PI3K-beta/delta inhibitors
J.Med.Chem., 55, 2012
4FJZ
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CRYSTAL STRUCTURE OF PI3K-GAMMA IN COMPLEX WITH PYRROLO-PYRIDINE INHIBITOR 63
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, 1'-[7-fluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-yl]-6'-(morpholin-4-yl)-1',2,2',3,5,6-hexahydrospiro[pyran-4,3'-pyrrolo[3,2-b]pyridine]
Authors:Whittington, D.A., Tang, J., Yakowec, P.
Deposit date:2012-06-12
Release date:2012-10-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery and in Vivo Evaluation of Dual PI3K-beta/delta inhibitors
J.Med.Chem., 55, 2012