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6X3L
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BU of 6x3l by Molmil
Sortilin-Progranulin Interaction With Compound 2
分子名称: 1-benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Parthasarathy, G, Soisson, S.M.
登録日2020-05-21
公開日2020-08-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Identification of potent inhibitors of the sortilin-progranulin interaction.
Bioorg.Med.Chem.Lett., 30, 2020
6X48
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BU of 6x48 by Molmil
Sortilin-Progranulin Interaction With Compound 17
分子名称: GLYCEROL, N-(3,5-dichlorobenzene-1-carbonyl)-5,5-dimethyl-L-norleucine, Sortilin, ...
著者Parthasarathy, G, Soisson, S.M.
登録日2020-05-22
公開日2020-08-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Identification of potent inhibitors of the sortilin-progranulin interaction.
Bioorg.Med.Chem.Lett., 30, 2020
6X4H
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BU of 6x4h by Molmil
Sortilin-Progranulin Interaction With Compound 24
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-methyl-N-(6-phenoxypyridine-3-carbonyl)-L-leucine, GLYCEROL, ...
著者Parthasarathy, G, Soisson, S.M, Klein, D.
登録日2020-05-22
公開日2020-08-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Identification of potent inhibitors of the sortilin-progranulin interaction.
Bioorg.Med.Chem.Lett., 30, 2020
2RJT
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BU of 2rjt by Molmil
Crystal Structure Analysis of a Surface Entropy Reduction Mutant of S. pneumoniae FabF
分子名称: Beta-ketoacyl-ACP synthase II
著者Soisson, S.M, Parthasarathy, G, Becker, J.
登録日2007-10-15
公開日2008-01-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Surface-entropy reduction approaches to manipulate crystal forms of beta-ketoacyl acyl carrier protein synthase II from Streptococcus pneumoniae.
Acta Crystallogr.,Sect.D, 64, 2008
5HJP
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BU of 5hjp by Molmil
Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease
分子名称: 2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide, DI(HYDROXYETHYL)ETHER, Oxysterols receptor LXR-beta, ...
著者Parthasarathy, G, Klein, D.
登録日2016-01-13
公開日2016-04-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification and in Vivo Evaluation of Liver X Receptor beta-Selective Agonists for the Potential Treatment of Alzheimer's Disease.
J.Med.Chem., 59, 2016
5HJS
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BU of 5hjs by Molmil
Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease
分子名称: 2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide, Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, ...
著者Parthasarathy, G, Klein, D.
登録日2016-01-13
公開日2016-04-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Identification and in Vivo Evaluation of Liver X Receptor beta-Selective Agonists for the Potential Treatment of Alzheimer's Disease.
J.Med.Chem., 59, 2016
5C4U
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BU of 5c4u by Molmil
Identification of a Novel Allosteric Binding Site for RORgt Inhibitors
分子名称: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-pyrazolo[4,3-b]pyridin-3-yl}-5-fluoro-2-hydroxybenzoic acid, GLYCEROL, Nuclear receptor ROR-gamma
著者Parthasarathy, G, Soisson, S.
登録日2015-06-18
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Identification of an allosteric binding site for ROR gamma t inhibition.
Nat Commun, 6, 2015
5C4S
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BU of 5c4s by Molmil
Identification of a Novel Allosteric Binding Site for RORgt Inhibitors
分子名称: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1H-indazol-3-yl}-3-fluorobenzoic acid, GLYCEROL, Nuclear receptor ROR-gamma
著者Parthasarathy, G, Soisson, S.
登録日2015-06-18
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Identification of an allosteric binding site for ROR gamma t inhibition.
Nat Commun, 6, 2015
5C4O
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BU of 5c4o by Molmil
Identification of a Novel Allosteric Binding Site for RORgt Inhibitors
分子名称: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid, GLYCEROL, Nuclear receptor ROR-gamma, ...
著者Parthasarathy, G, Soisson, S.
登録日2015-06-18
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Identification of an allosteric binding site for ROR gamma t inhibition.
Nat Commun, 6, 2015
5C4T
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BU of 5c4t by Molmil
Identification of a Novel Allosteric Binding Site for RORgt Inhibitors
分子名称: (1S)-4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1H-indazol-3-yl}-1-methylcyclohex-3-ene-1-carboxylic acid, GLYCEROL, Nuclear receptor ROR-gamma, ...
著者Parthasarathy, G, Soisson, S.
登録日2015-06-18
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Identification of an allosteric binding site for ROR gamma t inhibition.
Nat Commun, 6, 2015
1BG0
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BU of 1bg0 by Molmil
TRANSITION STATE STRUCTURE OF ARGININE KINASE
分子名称: ADENOSINE-5'-DIPHOSPHATE, ARGININE KINASE, D-ARGININE, ...
著者Zhou, G, Somasundaram, T, Blanc, E, Parthasarathy, G, Ellington, W.R, Chapman, M.S.
登録日1998-06-03
公開日1998-10-14
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Transition state structure of arginine kinase: implications for catalysis of bimolecular reactions.
Proc.Natl.Acad.Sci.USA, 95, 1998
3BEJ
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BU of 3bej by Molmil
Structure of human FXR in complex with MFA-1 and co-activator peptide
分子名称: (8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
著者Soisson, S.M, Parthasarathy, G, Becker, J.W.
登録日2007-11-19
公開日2008-03-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of a potent synthetic FXR agonist with an unexpected mode of binding and activation.
Proc.Natl.Acad.Sci.Usa, 105, 2008
4YHJ
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BU of 4yhj by Molmil
Structure and Function of the Hypertension Variant A486V of G Protein-coupled Receptor Kinase 4 (GRK4)
分子名称: AMP PHOSPHORAMIDATE, G protein-coupled receptor kinase 4
著者Allen, S.J, Parthasarathy, G, Soisson, S, Munshi, S.
登録日2015-02-27
公開日2015-07-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure and Function of the Hypertension Variant A486V of G Protein-coupled Receptor Kinase 4.
J.Biol.Chem., 290, 2015
3G11
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BU of 3g11 by Molmil
Structure of E. coli FabF(C163Q) in complex with dihydrophenyl platensimycin
分子名称: 3-({3-[(1S,4S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxo-4-phenyldecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2
著者Soisson, S.M, Parthasarathy, G.
登録日2009-01-29
公開日2009-03-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synthesis and biological evaluation of platensimycin analogs.
Bioorg.Med.Chem.Lett., 19, 2009
3G0Y
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BU of 3g0y by Molmil
Structure of E. coli FabF(C163Q) in complex with dihydroplatensimycin
分子名称: 3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxodecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2
著者Soisson, S.M, Parthasarathy, G.
登録日2009-01-29
公開日2009-03-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Synthesis and biological evaluation of platensimycin analogs.
Bioorg.Med.Chem.Lett., 19, 2009
3HO2
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BU of 3ho2 by Molmil
Structure of E.coli FabF(C163A) in complex with Platencin
分子名称: 2,4-dihydroxy-3-({3-[(2S,4aS,8S,8aR)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2
著者Soisson, S.M, Parthasarathy, G.
登録日2009-06-01
公開日2010-02-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Isolation, enzyme-bound structure and antibacterial activity of platencin A1 from Streptomyces platensis.
Bioorg.Med.Chem.Lett., 19, 2009
3HO9
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BU of 3ho9 by Molmil
Structure of E.coli FabF(C163A) in complex with Platencin A1
分子名称: 2,4-dihydroxy-3-({3-[(2R,4aR,8S,8aR,9R)-9-hydroxy-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonap hthalen-8-yl]propanoyl}amino)benzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2
著者Soisson, S.M, Parthasarathy, G.
登録日2009-06-01
公開日2010-02-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Isolation, enzyme-bound structure and antibacterial activity of platencin A1 from Streptomyces platensis.
Bioorg.Med.Chem.Lett., 19, 2009
3HNZ
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BU of 3hnz by Molmil
Structure of E. coli FabF(C163A) in Complex with Platensimycin
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, PLATENSIMYCIN
著者Soisson, S.M, Parthasarathy, G.
登録日2009-06-01
公開日2010-02-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Isolation, enzyme-bound structure and antibacterial activity of platencin A1 from Streptomyces platensis.
Bioorg.Med.Chem.Lett., 19, 2009
2GFW
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BU of 2gfw by Molmil
Structure of wild type E. coli FabF (KASII)
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2
著者Soisson, S.M, Parthasarathy, G.
登録日2006-03-23
公開日2006-05-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Platensimycin is a selective FabF inhibitor with potent antibiotic properties.
Nature, 441, 2006
2GFX
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BU of 2gfx by Molmil
Structure of E. coli FabF(C163Q) in complex with Platensimycin
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, PLATENSIMYCIN
著者Soisson, S.M, Parthasarathy, G.
登録日2006-03-23
公開日2006-05-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Platensimycin is a selective FabF inhibitor with potent antibiotic properties.
Nature, 441, 2006
2GFY
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BU of 2gfy by Molmil
Structure of E. coli FabF(K335A) mutant with covalently linked dodecanoic acid
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, LAURIC ACID
著者Soisson, S.M, Parthasarathy, G.
登録日2006-03-23
公開日2006-05-23
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Platensimycin is a selective FabF inhibitor with potent antibiotic properties.
Nature, 441, 2006
2GFV
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BU of 2gfv by Molmil
Structure of E. coli FabF (KASII) C163Q mutant
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2
著者Soisson, S.M, Parthasarathy, G.
登録日2006-03-23
公開日2006-05-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Platensimycin is a selective FabF inhibitor with potent antibiotic properties.
Nature, 441, 2006
6UCG
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BU of 6ucg by Molmil
Retinoic acid receptor-related orphan receptor (ROR) gamma in complex with allosteric compound 28
分子名称: (3S,4R)-1-[1-(2-chloro-6-cyclopropylbenzene-1-carbonyl)-4-fluoro-1H-indazol-3-yl]-3-hydroxypiperidine-4-carboxylic acid, Nuclear receptor ROR-gamma
著者Palte, R.L, Parthasarathy, G.
登録日2019-09-16
公開日2020-03-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Discovery ofN-(Indazol-3-yl)piperidine-4-carboxylic Acids as ROR gamma t Allosteric Inhibitors for Autoimmune Diseases.
Acs Med.Chem.Lett., 11, 2020
4DXD
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BU of 4dxd by Molmil
Staphylococcal Aureus FtsZ in complex with 723
分子名称: 3-[(6-chloro[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE
著者Lu, J, Soisson, S.M.
登録日2012-02-27
公開日2012-05-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Restoring methicillin-resistant Staphylococcus aureus susceptibility to beta-lactam antibiotics.
Sci Transl Med, 4, 2012
4YPQ
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BU of 4ypq by Molmil
Crystal structure of the ROR(gamma)t ligand binding domain in complex with 4-(1-(2-chloro-6-(trifluoromethyl)benzoyl)-1H-indazol-3-yl)benzoic acid
分子名称: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid, MAGNESIUM ION, Nuclear receptor ROR-gamma
著者Leysen, S, Scheepstra, M, van Almen, G.C, Ottmann, C, Brunsveld, L.
登録日2015-03-13
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Identification of an allosteric binding site for ROR gamma t inhibition.
Nat Commun, 6, 2015

 

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