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2NW4
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BU of 2nw4 by Molmil
Crystal Structure of the Rat Androgen Receptor Ligand Binding Domain Complex with BMS-564929
Descriptor: 2-CHLORO-4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-3-METHYLBENZONITRILE, Androgen receptor
Authors:Ostrowski, J, Kuhns, J.E, Lupisella, J.A, Manfredi, M.C, Beehler, B.C, Krystek, S.R, Bi, Y, Sun, C, Seethala, R, Golla, R, Sleph, P.G, Fura, A, An, Y, Kish, K.F, Sack, J.S, Mookhtiar, K.A, Grover, G.J, Hamann, L.G.
Deposit date:2006-11-14
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Pharmacological and x-ray structural characterization of a novel selective androgen receptor modulator: potent hyperanabolic stimulation of skeletal muscle with hypostimulation of prostate in rats.
Endocrinology, 148, 2007
3KDU
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BU of 3kdu by Molmil
Crystal structure of peroxisome proliferator-activatedeceptor alpha (PPARalpha) complex with N-3-((2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl)methoxy)benzyl)-N-((4-methylphenoxy)carbonyl)glycine
Descriptor: N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-[(4-methylphenoxy)carbonyl]glycine, Peroxisome proliferator-activated receptor alpha
Authors:Muckelbauer, J.K.
Deposit date:2009-10-23
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).
J.Med.Chem., 53, 2010
3KDT
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BU of 3kdt by Molmil
Crystal structure of peroxisome proliferator-activatedeceptor alpha (PPARalpha) complex with N-3-((2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl)methoxy)benzyl)-N-(methoxycarbonyl)glycine
Descriptor: N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-(methoxycarbonyl)glycine, Peroxisome proliferator-activated receptor alpha
Authors:Muckelbauer, J.K.
Deposit date:2009-10-23
Release date:2010-04-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).
J.Med.Chem., 53, 2010
1XNN
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BU of 1xnn by Molmil
CRYSTAL STRUCTURE OF THE RAT ANDROGEN RECEPTOR LIGAND BINDING DOMAIN T877A MUTANT COMPLEX WITH (3A-ALPHA-,4-ALPHA 7-ALPHA-,7A-ALPHA-)-3A,4,7,7A-TETRAHYDRO-2-(4-NITRO-1-NAPHTHALENYL)-4,7-ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE.
Descriptor: Androgen receptor, REL-(3AR,4S,7R,7AS)-3A,4,7,7A-TETRAHYDRO-2-(4-NITRO-1-NAPHTHALENYL)-4,7-ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE
Authors:Sack, J.
Deposit date:2004-10-05
Release date:2005-10-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure based approach to the design of bicyclic-1H-isoindole-1,3(2H)-dione based androgen receptor antagonists.
Bioorg.Med.Chem.Lett., 15, 2005
5IHL
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BU of 5ihl by Molmil
STRUCTURE OF THE EXTRACELLULAR DOMAIN OF THE CD40 IN COMPLEX WITH 3H56-5 DAB
Descriptor: 3H56-5 domain antibody (dAb), SULFATE ION, Tumor necrosis factor receptor superfamily member 5
Authors:Sheriff, S.
Deposit date:2016-02-29
Release date:2016-06-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Functional Antagonism of Human CD40 Achieved by Targeting a Unique Species-Specific Epitope.
J.Mol.Biol., 428, 2016
2IHQ
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BU of 2ihq by Molmil
Crystal Structure of the Rat Androgen Receptor Ligand Binding Domian Complex with an N-Aryl-Hydroxybicyclohydantoin
Descriptor: 4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-1-NAPHTHONITRILE, Androgen receptor
Authors:Sack, J.S.
Deposit date:2006-09-27
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of potent, orally-active, and muscle-selective androgen receptor modulators based on an N-aryl-hydroxybicyclohydantoin scaffold.
J.Med.Chem., 49, 2006
5DMI
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BU of 5dmi by Molmil
Structure of the extracellular domain of the CD40 in complex with CHI220 FAB
Descriptor: Chi220 Fab heavy chain, Chi220 Fab light chain, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2015-09-08
Release date:2016-06-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.69 Å)
Cite:Functional Antagonism of Human CD40 Achieved by Targeting a Unique Species-Specific Epitope.
J.Mol.Biol., 428, 2016
5DMJ
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BU of 5dmj by Molmil
Structure of the extracellular domain of the CD40 in complex with 3H56-5 DAB
Descriptor: 3H65-5 domain antibody (dAb), POTASSIUM ION, Tumor necrosis factor receptor superfamily member 5
Authors:Sheriff, S.
Deposit date:2015-09-08
Release date:2016-06-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Functional Antagonism of Human CD40 Achieved by Targeting a Unique Species-Specific Epitope.
J.Mol.Biol., 428, 2016
3QWQ
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BU of 3qwq by Molmil
Crystal structure of the extracellular domain of the epidermal growth factor receptor in complex with an adnectin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADNECTIN, ...
Authors:Sheriff, S.
Deposit date:2011-02-28
Release date:2012-02-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structures of adnectin/protein complexes reveal an expanded binding footprint.
Structure, 20, 2012
3QWR
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BU of 3qwr by Molmil
Crystal structure of IL-23 in complex with an adnectin
Descriptor: ADNECTIN, Interleukin-12 subunit beta, Interleukin-23 subunit alpha, ...
Authors:Wei, A, Sheriff, S.
Deposit date:2011-02-28
Release date:2012-02-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structures of adnectin/protein complexes reveal an expanded binding footprint.
Structure, 20, 2012
1EDP
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BU of 1edp by Molmil
CONFORMATIONAL ISOMERISM OF ENDOTHELIN IN ACIDIC AQUEOUS MEDIA: A QUANTITATIVE NOESY ANALYSIS
Descriptor: ENDOTHELIN-1 PRECURSOR
Authors:Andersen, N.H, Chen, C.
Deposit date:1991-12-16
Release date:1993-10-31
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Conformational isomerism of endothelin in acidic aqueous media: a quantitative NOESY analysis.
Biochemistry, 31, 1992
3CH6
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BU of 3ch6 by Molmil
Crystal Structure of 11beta-HSD1 Double Mutant (L262R, F278E) Complexed with (3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone
Descriptor: (3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Sheriff, S.
Deposit date:2008-03-07
Release date:2008-06-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Pyridine amides as potent and selective inhibitors of 11beta-hydroxysteroid dehydrogenase type 1
Bioorg.Med.Chem.Lett., 18, 2008
3G0W
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BU of 3g0w by Molmil
Crystal structure of the rat androgen receptor ligand binding domain complex with an n-aryl-oxazolidin 2-imine inhibitor
Descriptor: 2-chloro-4-{[(1R,3Z,7S,7aS)-7-hydroxy-1-(trifluoromethyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-ylidene]amino}-3-met hylbenzonitrile, Androgen receptor
Authors:Sack, J.S.
Deposit date:2009-01-29
Release date:2009-04-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:N-aryl-oxazolidin-2-imine muscle selective androgen receptor modulators enhance potency through pharmacophore reorientation.
J.Med.Chem., 52, 2009

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