Author results

1FN9
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CRYSTAL STRUCTURE OF THE REOVIRUS OUTER CAPSID PROTEIN SIGMA 3
Descriptor:OUTER-CAPSID PROTEIN SIGMA 3, ZINC ION
Authors:Olland, A.M., Jane-Valbuena, J., Schiff, L.A., Nibert, M.L., Harrison, S.C.
Deposit date:2000-08-21
Release date:2001-03-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the reovirus outer capsid and dsRNA-binding protein sigma3 at 1.8 A resolution.
EMBO J., 20, 2001
1KAM
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STRUCTURE OF BACILLUS SUBTILIS NICOTINIC ACID MONONUCLEOTIDE ADENYLYL TRANSFERASE
Descriptor:NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE
Authors:Olland, A.M., Underwood, K.W., Czerwinski, R.M., Lo, M.C., Aulabaugh, A., Bard, J., Stahl, M.L., Somers, W.S., Sullivan, F.X., Chopra, R.
Deposit date:2001-11-02
Release date:2002-07-12
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification, characterization, and crystal structure of Bacillus subtilis nicotinic acid mononucleotide adenylyltransferase.
J.Biol.Chem., 277, 2002
1KAQ
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STRUCTURE OF BACILLUS SUBTILIS NICOTINIC ACID MONONUCLEOTIDE ADENYLYL TRANSFERASE
Descriptor:NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE, NICOTINIC ACID ADENINE DINUCLEOTIDE
Authors:Olland, A.M., Underwood, K.W., Czerwinski, R.M., Lo, M.C., Aulabaugh, A., Bard, J., Stahl, M.L., Somers, W.S., Sullivan, F.X., Chopra, R.
Deposit date:2001-11-02
Release date:2002-07-12
Last modified:2014-11-19
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Identification, characterization, and crystal structure of Bacillus subtilis nicotinic acid mononucleotide adenylyltransferase.
J.Biol.Chem., 277, 2002
3FXY
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ACIDIC MAMMALIAN CHINASE, CATALYTIC DOMAIN
Descriptor:Acidic mammalian chitinase
Authors:Olland, A.M.
Deposit date:2009-01-21
Release date:2009-03-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Triad of polar residues implicated in pH specificity of acidic mammalian chitinase.
Protein Sci., 18, 2009
3FY1
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THE ACIDIC MAMMALIAN CHITINASE CATALYTIC DOMAIN IN COMPLEX WITH METHYLALLOSAMIDIN
Descriptor:Acidic mammalian chitinase, METHYL N-ACETYL ALLOSAMINE, N-ACETYL-D-ALLOSAMINE, ...
Authors:Olland, A.M.
Deposit date:2009-01-21
Release date:2009-03-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Triad of polar residues implicated in pH specificity of acidic mammalian chitinase.
Protein Sci., 18, 2009
2R7B
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CRYSTAL STRUCTURE OF THE PHOSPHOINOSITIDE-DEPENDENT KINASE-1 (PDK-1)CATALYTIC DOMAIN BOUND TO A DIBENZONAPHTHYRIDINE INHIBITOR
Descriptor:Phosphoinositide-dependent protein kinase 1, SULFATE ION, O-PHOSPHOETHANOLAMINE, ...
Authors:Olland, A.M.
Deposit date:2007-09-07
Release date:2008-09-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of Dibenzo[c,f][2,7]naphthyridines as Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 Inhibitors.
J.Med.Chem., 50, 2007
1ZUC
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PROGESTERONE RECEPTOR LIGAND BINDING DOMAIN IN COMPLEX WITH THE NONSTEROIDAL AGONIST TANAPROGET
Descriptor:Progesterone receptor, 5-(4,4-DIMETHYL-2-THIOXO-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-6-YL)-1-METHYL-1H-PYRROLE-2-CARBONITRILE, SULFATE ION
Authors:Zhang, Z., Olland, A.M., Zhu, Y., Cohen, J., Berrodin, T., Chippari, S., Appavu, C., Li, S., Wilhem, J., Chopra, R., Fensome, A., Zhang, P., Wrobel, J., Unwalla, R.J., Lyttle, C.R., Winneker, R.C.
Deposit date:2005-05-30
Release date:2005-07-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular and pharmacological properties of a potent and selective novel nonsteroidal progesterone receptor agonist tanaproget
J.Biol.Chem., 280, 2005
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
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
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
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
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
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
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
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