Author results

3KFC
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COMPLEX STRUCTURE OF LXR WITH AN AGONIST
Descriptor:Oxysterols receptor LXR-beta, 4-{3-[3-(methylsulfonyl)phenoxy]phenyl}-8-(trifluoromethyl)quinoline
Authors:Olland, A., Bernotas, R.C., Unwalla, R.
Deposit date:2009-10-27
Release date:2009-12-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:4-(3-Aryloxyaryl)quinoline sulfones are potent liver X receptor agonists.
Bioorg.Med.Chem.Lett., 20, 2010
4HGM
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SHARK IGNAR VARIABLE DOMAIN
Descriptor:Shark V-NAR, Serum albumin, 1,2-ETHANEDIOL, ...
Authors:Olland, A., Kovalenko, O.V., King, D., Svenson, K.
Deposit date:2012-10-08
Release date:2013-05-08
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Atypical Antigen Recognition Mode of a Shark Immunoglobulin New Antigen Receptor (IgNAR) Variable Domain Characterized by Humanization and Structural Analysis.
J.Biol.Chem., 288, 2013
3RKZ
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DISCOVERY OF A STABLE MACROCYCLIC O-AMINOBENZAMIDE HSP90 INHIBITOR CAPABLE OF SIGNIFICANTLY DECREASING TUMOR VOLUME IN A MOUSE XENOGRAFT MODEL.
Descriptor:Heat shock protein HSP 90-alpha, (5R,6S)-3-(L-alanyl)-5,6,15,15,18-pentamethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-12,8-(metheno)[1,5,9]triazacyclotetradecino[1,2-a]indole-9-carboxamide
Authors:Zapf, C.W., Bloom, J.D., Li, Z., Dushin, R.G., Nittoli, T., Otteng, M., Nikitenko, A., Golas, J.M., Liu, H., Lucas, J., Boschelli, F., Vogan, E., Olland, A., Johnson, M., Levin, J.I.
Deposit date:2011-04-18
Release date:2011-07-13
Last modified:2011-08-03
Method:X-RAY DIFFRACTION (1.5693 Å)
Cite:Discovery of a stable macrocyclic o-aminobenzamide Hsp90 inhibitor which significantly decreases tumor volume in a mouse xenograft model.
Bioorg.Med.Chem.Lett., 21, 2011
3RM4
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AMCASE IN COMPLEX WITH COMPOUND 1
Descriptor:Acidic mammalian chitinase, 5-{4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl}-4H-1,2,4-triazol-3-amine
Authors:Olland, A.
Deposit date:2011-04-20
Release date:2011-08-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification and Characterization of Acidic Mammalian Chitinase Inhibitors
J.Med.Chem., 53, 2010
3RM8
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AMCASE IN COMPLEX WITH COMPOUND 2
Descriptor:Acidic mammalian chitinase, 2-methyl-3-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1H-indole
Authors:Olland, A.
Deposit date:2011-04-20
Release date:2011-08-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification and Characterization of Acidic Mammalian Chitinase Inhibitors
J.Med.Chem., 53, 2010
3RM9
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AMCASE IN COMPLEX WITH COMPOUND 3
Descriptor:Acidic mammalian chitinase, 4-(4-chlorophenyl)piperazine-1-carboximidamide
Authors:Olland, A.
Deposit date:2011-04-20
Release date:2011-08-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification and Characterization of Acidic Mammalian Chitinase Inhibitors
J.Med.Chem., 53, 2010
3RME
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AMCASE IN COMPLEX WITH COMPOUND 5
Descriptor:Acidic mammalian chitinase, GLYCEROL, N-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
Authors:Olland, A.
Deposit date:2011-04-20
Release date:2011-08-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification and Characterization of Acidic Mammalian Chitinase Inhibitors
J.Med.Chem., 53, 2010
3H9O
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PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK-1) IN COMPLEX WITH COMPOUND 9
Descriptor:3-phosphoinositide-dependent protein kinase 1, 2-(1H-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine
Authors:Olland, A.M.
Deposit date:2009-04-30
Release date:2009-08-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Benzo[c][2,7]naphthyridines as inhibitors of PDK-1
Bioorg.Med.Chem.Lett., 19, 2009
3ION
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PDK1 IN COMPLEX WITH COMPOUND 8H
Descriptor:3-phosphoinositide-dependent protein kinase 1, 2-(5-{[(2S)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine, SULFATE ION
Authors:Olland, A.M.
Deposit date:2009-08-14
Release date:2010-02-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The identification of 8,9-dimethoxy-5-(2-aminoalkoxy-pyridin-3-yl)-benzo[c][2,7]naphthyridin-4-ylamines as potent inhibitors of 3-phosphoinositide-dependent kinase-1 (PDK-1).
Eur.J.Med.Chem., 45, 2010
3IOP
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PDK-1 IN COMPLEX WITH THE INHIBITOR COMPOUND-8I
Descriptor:3-phosphoinositide-dependent protein kinase 1, 2-(5-{[(2R)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine
Authors:Olland, A.M.
Deposit date:2009-08-14
Release date:2010-02-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The identification of 8,9-dimethoxy-5-(2-aminoalkoxy-pyridin-3-yl)-benzo[c][2,7]naphthyridin-4-ylamines as potent inhibitors of 3-phosphoinositide-dependent kinase-1 (PDK-1).
Eur.J.Med.Chem., 45, 2010
3OOZ
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BACE1 IN COMPLEX WITH THE AMINOHYDANTOIN COMPOUND 102
Descriptor:Beta-secretase 1, (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(5-fluoropent-1-yn-1-yl)phenyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one
Authors:Olland, A.M.
Deposit date:2010-08-31
Release date:2011-08-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design and Synthesis of Aminohydantoins as Potent and Selective Human beta-Secretase (BACE1) Inhibitors with Enhanced Brain Permeability
Bioorg.Med.Chem.Lett., 20, 2010
4HGK
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SHARK IGNAR VARIABLE DOMAIN
Descriptor:Serum albumin, shark V-NAR antibody
Authors:Olland, A.O., Kovalenko, O.V., Svenson, K., King, D.
Deposit date:2012-10-08
Release date:2013-05-08
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Atypical Antigen Recognition Mode of a Shark Immunoglobulin New Antigen Receptor (IgNAR) Variable Domain Characterized by Humanization and Structural Analysis.
J.Biol.Chem., 288, 2013
2ZDZ
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X-RAY STRUCTURE OF BACE-1 IN COMPLEX WITH COMPOUND 3.B.10
Descriptor:Beta-secretase 1, N-carbamimidoyl-2-[2-(2-chlorophenyl)-5-[4-(4-ethanoylphenoxy)phenyl]pyrrol-1-yl]ethanamide
Authors:Chopra, R., Olland, A.
Deposit date:2007-12-04
Release date:2008-12-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Acylguanidine inhibitors of beta-secretase: optimization of the pyrrole ring substituents extending into the S1 and S3 substrate binding pockets.
Bioorg.Med.Chem.Lett., 18, 2008
2ZE1
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X-RAY STRUCTURE OF BACE-1 IN COMPLEX WITH COMPOUND 6G
Descriptor:Beta-secretase 1, 3-bromo-N-[4-[1-(2-carbamimidamido-2-oxo-ethyl)-5-phenyl-pyrrol-2-yl]phenyl]benzamide
Authors:Chopra, R., Olland, A.
Deposit date:2007-12-05
Release date:2008-12-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Acylguanidine inhibitors of beta-secretase: optimization of the pyrrole ring substituents extending into the S1 and S3 substrate binding pockets.
Bioorg.Med.Chem.Lett., 18, 2008
3IGB
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BACE-1 WITH COMPOUND 3
Descriptor:Beta-secretase 1, 8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
Authors:Olland, A.M.
Deposit date:2009-07-27
Release date:2009-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.238 Å)
Cite:Aminoimidazoles as potent and selective human beta-secretase (BACE1) inhibitors
J.Med.Chem., 52, 2009
3IN3
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BACE1 WITH COMPOUND 30
Descriptor:Beta-secretase 1, (5S)-2-amino-3-methyl-5-pyridin-4-yl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4H-imidazol-4-one
Authors:Olland, A.M.
Deposit date:2009-08-11
Release date:2010-01-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Di-substituted pyridinyl aminohydantoins as potent and highly selective human beta-secretase (BACE1) inhibitors.
Bioorg.Med.Chem., 18, 2010
3IN4
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BACE1 WITH COMPOUND 38
Descriptor:Beta-secretase 1, (5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)-3,5-dihydro-4H-imidazol-4-one
Authors:Olland, A.M.
Deposit date:2009-08-11
Release date:2010-01-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Di-substituted pyridinyl aminohydantoins as potent and highly selective human beta-secretase (BACE1) inhibitors.
Bioorg.Med.Chem., 18, 2010
3IND
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BACE1 WITH THE AMINOHYDANTOIN COMPOUND 29
Descriptor:Beta-secretase 1, (5S)-2-amino-3-methyl-5-phenyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4H-imidazol-4-one
Authors:Olland, A.M., Chopra, R.
Deposit date:2009-08-12
Release date:2010-03-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.246 Å)
Cite:Design and synthesis of 5,5'-disubstituted aminohydantoins as potent and selective human beta-secretase (BACE1) inhibitors.
J.Med.Chem., 53, 2010
3INE
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BACE1 WITH THE AMINOHYDANTOIN COMPOUND S-34
Descriptor:Beta-secretase 1, (5S)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4H-imidazol-4-one
Authors:Olland, A.M., Chopra, R.
Deposit date:2009-08-12
Release date:2010-03-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:Design and synthesis of 5,5'-disubstituted aminohydantoins as potent and selective human beta-secretase (BACE1) inhibitors.
J.Med.Chem., 53, 2010
3INF
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BACE1 WITH THE AMINOHYDANTOIN COMPOUND 37
Descriptor:Beta-secretase 1, (5S)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4H-imidazol-4-one
Authors:Olland, A.M., Chopra, R.
Deposit date:2009-08-12
Release date:2010-03-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.852 Å)
Cite:Design and synthesis of 5,5'-disubstituted aminohydantoins as potent and selective human beta-secretase (BACE1) inhibitors.
J.Med.Chem., 53, 2010
3INH
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BACE1 WITH THE AMINOHYDANTOIN COMPOUND R-58
Descriptor:Beta-secretase 1, (5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-imidazol-4-one
Authors:Olland, A.M., Chopra, R.
Deposit date:2009-08-12
Release date:2010-03-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design and synthesis of 5,5'-disubstituted aminohydantoins as potent and selective human beta-secretase (BACE1) inhibitors.
J.Med.Chem., 53, 2010
3L38
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BACE1 IN COMPLEX WITH THE AMINOPYRIDINE COMPOUND 44
Descriptor:Beta-secretase 1, 6-({2-(2-chlorophenyl)-5-[4-(pyrimidin-5-yloxy)phenyl]-1H-pyrrol-1-yl}methyl)pyridin-2-amine
Authors:Olland, A.M., Chopra, R.
Deposit date:2009-12-16
Release date:2010-04-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Novel pyrrolyl 2-aminopyridines as potent and selective human beta-secretase (BACE1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3L3A
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BACE-1 WITH THE AMINOPYRIDINE COMPOUND 32
Descriptor:Beta-secretase 1, 4-(4-{1-[(6-aminopyridin-2-yl)methyl]-5-(2-chlorophenyl)-1H-pyrrol-2-yl}phenoxy)butanenitrile
Authors:Olland, A.M., Chopra, R.
Deposit date:2009-12-16
Release date:2010-04-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.362 Å)
Cite:Novel pyrrolyl 2-aminopyridines as potent and selective human beta-secretase (BACE1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3LHG
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BACE1 IN COMPLEX WITH THE AMINOHYDANTOIN COMPOUND 4G
Descriptor:Beta-secretase 1, (5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one
Authors:Olland, A.M.
Deposit date:2010-01-22
Release date:2010-04-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Pyridinyl aminohydantoins as small molecule BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3S7L
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PYRAZOLYL AND THIENYL AMINOHYDANTOINS AS POTENT BACE1 INHIBITORS
Descriptor:Beta-secretase 1, (5S)-2-amino-5-(1-ethyl-1H-pyrazol-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one
Authors:Chopra, R., Olland, A., Svenson, K.
Deposit date:2011-05-26
Release date:2011-08-31
Method:X-RAY DIFFRACTION (2.162 Å)
Cite:New pyrazolyl and thienyl aminohydantoins as potent BACE1 inhibitors: Exploring the S2' region.
Bioorg.Med.Chem.Lett., 21, 2011
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