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PDB: 138 results
4J1H
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BU of 4j1h by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((4S,6R)-2-amino-4-methyl-6-trifluoromethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide
Descriptor: Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4S,6R)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ...
Authors:Kuglstatter, A, Stihle, M.
Deposit date:2013-02-01
Release date:2013-05-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease
J.Med.Chem., 56, 2013
4J0P
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BU of 4j0p by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((S)-2-amino-4-methyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide
Descriptor: Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4S)-2-amino-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ...
Authors:Kuglstatter, A, Stihle, M.
Deposit date:2013-01-31
Release date:2013-12-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:beta-Secretase (BACE1) inhibitors with high in vivo efficacy suitable for clinical evaluation in Alzheimer's disease.
J.Med.Chem., 56, 2013
4J1K
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BU of 4j1k by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((4R,5R,6S)-2-amino-5-fluoro-4-methyl-6-trifluoromethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide
Descriptor: Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4R,5R,6S)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ...
Authors:Kuglstatter, A, Stihle, M.
Deposit date:2013-02-01
Release date:2013-05-01
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease
J.Med.Chem., 56, 2013
4J1E
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BU of 4j1e by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((4S,6S)-2-amino-4-fluoromethyl-6-trifluoromethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide
Descriptor: Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4S,6S)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ...
Authors:Kuglstatter, A, Stihle, M.
Deposit date:2013-02-01
Release date:2013-05-01
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease
J.Med.Chem., 56, 2013
4J0T
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BU of 4j0t by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Ethoxy-pyridine-2-carboxylic acid [3-((R)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide
Descriptor: 5-Ethoxy-pyridine-2-carboxylic acid [3-((R)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide, Beta-secretase 1, DIMETHYL SULFOXIDE, ...
Authors:Kuglstatter, A, Stihle, M.
Deposit date:2013-01-31
Release date:2013-05-01
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease
J.Med.Chem., 56, 2013
4IZY
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BU of 4izy by Molmil
Crystal structure of JNK1 in complex with JIP1 peptide and 4-{4-[4-(4-Methanesulfonyl-piperidin-1-yl)-indol-1-yl]-pyrimidin-2-ylamino}-cyclohexan
Descriptor: C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, trans-4-[(4-{4-[4-(methylsulfonyl)piperidin-1-yl]-1H-indol-1-yl}pyrimidin-2-yl)amino]cyclohexanol
Authors:Kuglstatter, A, Shao, A.
Deposit date:2013-01-30
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Development of indole/indazole-aminopyrimidines as inhibitors of c-Jun N-terminal kinase (JNK): optimization for JNK potency and physicochemical properties.
Bioorg.Med.Chem.Lett., 23, 2013
4J0V
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BU of 4j0v by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide
Descriptor: Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ...
Authors:Kuglstatter, A, Stihle, M.
Deposit date:2013-01-31
Release date:2013-05-01
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease
J.Med.Chem., 56, 2013
4J1I
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BU of 4j1i by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((4R,5R,6R)-2-amino-5-fluoro-4-methyl-6-trifluoromethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide
Descriptor: Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ...
Authors:Kuglstatter, A, Stihle, M.
Deposit date:2013-02-01
Release date:2013-05-01
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease
J.Med.Chem., 56, 2013
4J0Y
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BU of 4j0y by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((4R,5S)-2-amino-5-fluoro-4-methyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide
Descriptor: Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4R,5S)-2-amino-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ...
Authors:Kuglstatter, A, Stihle, M.
Deposit date:2013-01-31
Release date:2013-05-01
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease
J.Med.Chem., 56, 2013
4J1C
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BU of 4j1c by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((S)-2-amino-5,5-difluoro-4-fluoromethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide
Descriptor: Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4S)-2-amino-5,5-difluoro-4-(fluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ...
Authors:Kuglstatter, A, Stihle, M.
Deposit date:2013-02-01
Release date:2013-05-01
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease
J.Med.Chem., 56, 2013
4J17
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BU of 4j17 by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((S)-2-amino-4-difluoromethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide
Descriptor: Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4S)-2-amino-4-(difluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ...
Authors:Kuglstatter, A, Stihle, M.
Deposit date:2013-02-01
Release date:2013-05-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease
J.Med.Chem., 56, 2013
4J0Z
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BU of 4j0z by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((4S,5R)-2-amino-5-fluoro-4-fluoromethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide
Descriptor: Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4S,5R)-2-amino-5-fluoro-4-(fluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ...
Authors:Kuglstatter, A, Stihle, M.
Deposit date:2013-01-31
Release date:2013-05-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease
J.Med.Chem., 56, 2013
4J1F
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BU of 4j1f by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((4S,6S)-2-amino-4-methyl-6-trifluoromethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide
Descriptor: Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ...
Authors:Kuglstatter, A, Stihle, M.
Deposit date:2013-02-01
Release date:2013-05-01
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease
J.Med.Chem., 56, 2013
3FKN
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BU of 3fkn by Molmil
P38 kinase crystal structure in complex with RO7125
Descriptor: 3-[2-chloro-5-(methylsulfonyl)phenyl]-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidine, Mitogen-activated protein kinase 14
Authors:Kuglstatter, A, Ghate, M.
Deposit date:2008-12-17
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity
To be Published
3FMH
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BU of 3fmh by Molmil
P38 kinase crystal structure in complex with 6-(2,4-Difluoro-phenoxy)-8-methyl-2-((R)-1-methyl-2-tetrazol-2-yl-ethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
Descriptor: 6-(2,4-difluorophenoxy)-8-methyl-2-{[(1R)-1-methyl-2-(2H-tetrazol-2-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14
Authors:Kuglstatter, A, Ghate, M.
Deposit date:2008-12-22
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Discovery of Pamapimod and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
3FLY
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BU of 3fly by Molmil
P38 kinase crystal structure in complex with 6-(2,4-difluoro-phenoxy)-2-isopropylamino-8-methyl-8h-pyrido[2,3-d]pyrimidin-7-one
Descriptor: 6-(2,4-difluorophenoxy)-8-methyl-2-[(1-methylethyl)amino]pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14
Authors:Kuglstatter, A, Ghate, M.
Deposit date:2008-12-19
Release date:2009-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Discovery of Pamapimod, R1503 and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
3FMM
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BU of 3fmm by Molmil
P38 kinase crystal structure in complex with RO6226
Descriptor: 6-(2,4-difluorophenoxy)-N-[(1R)-1-methyl-2-(methylsulfonyl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-3-amine, Mitogen-activated protein kinase 14
Authors:Kuglstatter, A, Ghate, M.
Deposit date:2008-12-22
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:P38 kinase crystal structure in complex with RO6226
To be Published
3FLQ
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BU of 3flq by Molmil
P38 kinase crystal structure in complex with 6-(2,4-difluoro-phenoxy)-2-((s)-2-methanesulfonyl-1-methyl-ethylamino)-8-methyl-8h-pyrido[2,3-d]pyrimidin
Descriptor: 6-(2,4-difluorophenoxy)-8-methyl-2-{[(1S)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14
Authors:Kuglstatter, A, Knapp, M.
Deposit date:2008-12-19
Release date:2009-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Discovery of Pamapimod, R1503 and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
3FI4
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BU of 3fi4 by Molmil
P38 kinase crystal structure in complex with RO4499
Descriptor: (2S)-1-{[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-2-ol, Mitogen-activated protein kinase 14
Authors:Kuglstatter, A, Knapp, M, Dunten, P.
Deposit date:2008-12-10
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity
To be Published
3FMN
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BU of 3fmn by Molmil
P38 kinase crystal structure in complex with RO2530
Descriptor: 6-(2,4-difluorophenoxy)-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-amine, Mitogen-activated protein kinase 14
Authors:Kuglstatter, A, Ghate, M.
Deposit date:2008-12-22
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:P38 kinase crystal structure in complex with RO2530
To be Published
3FMK
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BU of 3fmk by Molmil
P38 kinase crystal structure in complex with 6-(2,4-Difluoro-phenoxy)-8-methyl-2-((S)-1-methyl-2-tetrazol-2-yl-ethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
Descriptor: 6-(2,4-difluorophenoxy)-8-methyl-2-{[(1S)-1-methyl-2-(2H-tetrazol-2-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14
Authors:Kuglstatter, A, Ghate, M.
Deposit date:2008-12-22
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Discovery of Pamapimod and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
3FKL
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BU of 3fkl by Molmil
P38 kinase crystal structure in complex with RO9552
Descriptor: Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-[8-methyl-7-oxo-2-(tetrahydro-2H-pyran-4-ylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]benzamide
Authors:Kuglstatter, A, Ghate, M.
Deposit date:2008-12-17
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity
To be Published
3FKO
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BU of 3fko by Molmil
P38 kinase crystal structure in complex with RO3668
Descriptor: 3-(2-chlorophenyl)-6-(2-fluorophenoxy)-2H-indazole, Mitogen-activated protein kinase 14
Authors:Kuglstatter, A, Knapp, M.
Deposit date:2008-12-17
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity
To be Published
3FLW
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BU of 3flw by Molmil
P38 kinase crystal structure in complex with pamapimod
Descriptor: 6-(2,4-difluorophenoxy)-2-{[3-hydroxy-1-(2-hydroxyethyl)propyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14
Authors:Kuglstatter, A, Ghate, M.
Deposit date:2008-12-19
Release date:2009-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Discovery of Pamapimod, R1503 and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
3FMJ
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BU of 3fmj by Molmil
P38 kinase crystal structure in complex with 4-(5-Methyl-3-phenyl-isoxazol-4-yl)-pyrimidin-2-ylamine
Descriptor: 4-(5-methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 14
Authors:Kuglstatter, A, Ghate, M.
Deposit date:2008-12-22
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Discovery of Pamapimod and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published

226707

數據於2024-10-30公開中

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