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PDB: 25 件
9C9V
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HBV capsid with compound 3i
分子名称: Capsid protein, N'-(3-chloro-4-fluorophenyl)-N-(2-methylpropyl)-N-[(1R)-1-(1-oxo-1,2-dihydroisoquinolin-4-yl)ethyl]urea
著者Olland, A.M, Suto, R.K, Fontano, E, Colussi, T.
登録日2024-06-16
公開日2024-09-25
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Rational Design, Synthesis, and Structure-Activity Relationship of a Novel Isoquinolinone-Based Series of HBV Capsid Assembly Modulators Leading to the Identification of Clinical Candidate AB-836.
J.Med.Chem., 67, 2024
3L38
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Bace1 in complex with the aminopyridine Compound 44
分子名称: 6-({2-(2-chlorophenyl)-5-[4-(pyrimidin-5-yloxy)phenyl]-1H-pyrrol-1-yl}methyl)pyridin-2-amine, Beta-secretase 1
著者Olland, A.M, Chopra, R.
登録日2009-12-16
公開日2010-04-28
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Novel pyrrolyl 2-aminopyridines as potent and selective human beta-secretase (BACE1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
7S76
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HBV CAPSID Y132A WITH COMPOUND 10b AT 2.5A RESOLUTION
分子名称: (1-methyl-1H-1,2,4-triazol-3-yl)methyl {(4S)-1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrrol-4-yl}carbamate, Capsid protein
著者Olland, A.M, Suto, R.K.
登録日2021-09-15
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The identification of highly efficacious functionalised tetrahydrocyclopenta[ c ]pyrroles as inhibitors of HBV viral replication through modulation of HBV capsid assembly.
Rsc Med Chem, 13, 2022
1FN9
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CRYSTAL STRUCTURE OF THE REOVIRUS OUTER CAPSID PROTEIN SIGMA 3
分子名称: OUTER-CAPSID PROTEIN SIGMA 3, ZINC ION
著者Olland, A.M, Jane-Valbuena, J, Schiff, L.A, Nibert, M.L, Harrison, S.C.
登録日2000-08-21
公開日2001-03-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the reovirus outer capsid and dsRNA-binding protein sigma3 at 1.8 A resolution.
EMBO J., 20, 2001
7UE9
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Structure of anti-C3d Fab(3d8b) in complex with C3d
分子名称: Complement C3dg fragment, Fab heavy chain, Fab light chain, ...
著者Olland, A.M, White, A, Suto, R.K.
登録日2022-03-21
公開日2022-06-08
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Development and Optimization of Bifunctional Fusion Proteins to Locally Modulate Complement Activation in Diseased Tissue.
Front Immunol, 13, 2022
3L3A
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Bace-1 with the aminopyridine Compound 32
分子名称: 4-(4-{1-[(6-aminopyridin-2-yl)methyl]-5-(2-chlorophenyl)-1H-pyrrol-2-yl}phenoxy)butanenitrile, Beta-secretase 1
著者Olland, A.M, Chopra, R.
登録日2009-12-16
公開日2010-04-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.362 Å)
主引用文献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
分子名称: (5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
著者Olland, A.M.
登録日2010-01-22
公開日2010-04-21
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Pyridinyl aminohydantoins as small molecule BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
2R7B
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Crystal Structure of the Phosphoinositide-dependent Kinase-1 (PDK-1)Catalytic Domain bound to a dibenzonaphthyridine inhibitor
分子名称: 10,11-dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine, 3-phosphoinositide-dependent protein kinase 1, SULFATE ION
著者Olland, A.M.
登録日2007-09-07
公開日2008-09-09
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of Dibenzo[c,f][2,7]naphthyridines as Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 Inhibitors.
J.Med.Chem., 50, 2007
1KAQ
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Structure of Bacillus subtilis Nicotinic Acid Mononucleotide Adenylyl Transferase
分子名称: NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE, NICOTINIC ACID ADENINE DINUCLEOTIDE
著者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.
登録日2001-11-02
公開日2002-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Identification, characterization, and crystal structure of Bacillus subtilis nicotinic acid mononucleotide adenylyltransferase.
J.Biol.Chem., 277, 2002
1KAM
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Structure of Bacillus subtilis Nicotinic Acid Mononucleotide Adenylyl Transferase
分子名称: NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE
著者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.
登録日2001-11-02
公開日2002-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
分子名称: Acidic mammalian chitinase
著者Olland, A.M.
登録日2009-01-21
公開日2009-03-10
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: 2-acetamido-2-deoxy-6-O-methyl-alpha-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, Acidic mammalian chitinase
著者Olland, A.M.
登録日2009-01-21
公開日2009-03-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Triad of polar residues implicated in pH specificity of acidic mammalian chitinase.
Protein Sci., 18, 2009
3OOZ
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Bace1 in complex with the aminohydantoin Compound 102
分子名称: (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, Beta-secretase 1
著者Olland, A.M.
登録日2010-08-31
公開日2011-08-31
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design and Synthesis of Aminohydantoins as Potent and Selective Human beta-Secretase (BACE1) Inhibitors with Enhanced Brain Permeability
Bioorg.Med.Chem.Lett., 20, 2010
3IND
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Bace1 with the aminohydantoin Compound 29
分子名称: (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, Beta-secretase 1
著者Olland, A.M, Chopra, R.
登録日2009-08-12
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.246 Å)
主引用文献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
分子名称: (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, Beta-secretase 1
著者Olland, A.M, Chopra, R.
登録日2009-08-12
公開日2010-03-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.996 Å)
主引用文献Design and synthesis of 5,5'-disubstituted aminohydantoins as potent and selective human beta-secretase (BACE1) inhibitors.
J.Med.Chem., 53, 2010
3IGB
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Bace-1 with Compound 3
分子名称: 8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine, Beta-secretase 1
著者Olland, A.M.
登録日2009-07-27
公開日2009-11-03
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.238 Å)
主引用文献Aminoimidazoles as potent and selective human beta-secretase (BACE1) inhibitors
J.Med.Chem., 52, 2009
3INF
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Bace1 with the aminohydantoin Compound 37
分子名称: (5S)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
著者Olland, A.M, Chopra, R.
登録日2009-08-12
公開日2010-03-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.852 Å)
主引用文献Design and synthesis of 5,5'-disubstituted aminohydantoins as potent and selective human beta-secretase (BACE1) inhibitors.
J.Med.Chem., 53, 2010
3IN4
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Bace1 with Compound 38
分子名称: (5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
著者Olland, A.M.
登録日2009-08-11
公開日2010-01-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Di-substituted pyridinyl aminohydantoins as potent and highly selective human beta-secretase (BACE1) inhibitors.
Bioorg.Med.Chem., 18, 2010
3IOP
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PDK-1 in complex with the inhibitor Compound-8i
分子名称: 2-(5-{[(2R)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine, 3-phosphoinositide-dependent protein kinase 1
著者Olland, A.M.
登録日2009-08-14
公開日2010-02-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
3IN3
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Bace1 with Compound 30
分子名称: (5S)-2-amino-3-methyl-5-pyridin-4-yl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
著者Olland, A.M.
登録日2009-08-11
公開日2010-01-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Di-substituted pyridinyl aminohydantoins as potent and highly selective human beta-secretase (BACE1) inhibitors.
Bioorg.Med.Chem., 18, 2010
3INH
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Bace1 with the aminohydantoin Compound R-58
分子名称: (5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
著者Olland, A.M, Chopra, R.
登録日2009-08-12
公開日2010-03-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: 2-(5-{[(2S)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine, 3-phosphoinositide-dependent protein kinase 1, SULFATE ION
著者Olland, A.M.
登録日2009-08-14
公開日2010-02-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
3H9O
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Phosphoinositide-dependent protein kinase 1 (PDK-1) in complex with compound 9
分子名称: 2-(1H-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine, 3-phosphoinositide-dependent protein kinase 1
著者Olland, A.M.
登録日2009-04-30
公開日2009-08-25
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Benzo[c][2,7]naphthyridines as inhibitors of PDK-1
Bioorg.Med.Chem.Lett., 19, 2009
6MAU
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Crystal structure of human BRD4(1) in complex with CN210 (compound 19)
分子名称: 1-(4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl}-1H-pyrazol-1-yl)-2-methylpropan-2-ol, Bromodomain-containing protein 4, GLYCEROL
著者Nadupalli, A, Fontano, E, Connors, C.R, Chan, S.G, Olland, A.M, Lakshminarasimhan, D, White, A, Suto, R.K.
登録日2018-08-28
公開日2019-04-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Lead optimization and efficacy evaluation of quinazoline-based BET family inhibitors for potential treatment of cancer and inflammatory diseases.
Bioorg. Med. Chem. Lett., 29, 2019
1ZUC
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Progesterone receptor ligand binding domain in complex with the nonsteroidal agonist tanaproget
分子名称: 5-(4,4-DIMETHYL-2-THIOXO-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-6-YL)-1-METHYL-1H-PYRROLE-2-CARBONITRILE, Progesterone receptor, SULFATE ION
著者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.
登録日2005-05-30
公開日2005-07-05
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular and pharmacological properties of a potent and selective novel nonsteroidal progesterone receptor agonist tanaproget
J.Biol.Chem., 280, 2005

226707

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