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2RJT
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BU of 2rjt by Molmil
Crystal Structure Analysis of a Surface Entropy Reduction Mutant of S. pneumoniae FabF
Descriptor: Beta-ketoacyl-ACP synthase II
Authors:Soisson, S.M, Parthasarathy, G, Becker, J.
Deposit date:2007-10-15
Release date:2008-01-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
5HJS
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BU of 5hjs by Molmil
Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease
Descriptor: 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, ...
Authors:Parthasarathy, G, Klein, D.
Deposit date:2016-01-13
Release date:2016-04-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.72 Å)
Cite: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
5HJP
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BU of 5hjp by Molmil
Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease
Descriptor: 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, ...
Authors:Parthasarathy, G, Klein, D.
Deposit date:2016-01-13
Release date:2016-04-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
6X3L
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BU of 6x3l by Molmil
Sortilin-Progranulin Interaction With Compound 2
Descriptor: 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, ...
Authors:Parthasarathy, G, Soisson, S.M.
Deposit date:2020-05-21
Release date:2020-08-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: GLYCEROL, N-(3,5-dichlorobenzene-1-carbonyl)-5,5-dimethyl-L-norleucine, Sortilin, ...
Authors:Parthasarathy, G, Soisson, S.M.
Deposit date:2020-05-22
Release date:2020-08-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: 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, ...
Authors:Parthasarathy, G, Soisson, S.M, Klein, D.
Deposit date:2020-05-22
Release date:2020-08-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification of potent inhibitors of the sortilin-progranulin interaction.
Bioorg.Med.Chem.Lett., 30, 2020
5C4O
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BU of 5c4o by Molmil
Identification of a Novel Allosteric Binding Site for RORgt Inhibitors
Descriptor: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid, GLYCEROL, Nuclear receptor ROR-gamma, ...
Authors:Parthasarathy, G, Soisson, S.
Deposit date:2015-06-18
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.24 Å)
Cite: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
Descriptor: (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, ...
Authors:Parthasarathy, G, Soisson, S.
Deposit date:2015-06-18
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Identification of an allosteric binding site for ROR gamma t inhibition.
Nat Commun, 6, 2015
5C4U
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BU of 5c4u by Molmil
Identification of a Novel Allosteric Binding Site for RORgt Inhibitors
Descriptor: 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
Authors:Parthasarathy, G, Soisson, S.
Deposit date:2015-06-18
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.08 Å)
Cite: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
Descriptor: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1H-indazol-3-yl}-3-fluorobenzoic acid, GLYCEROL, Nuclear receptor ROR-gamma
Authors:Parthasarathy, G, Soisson, S.
Deposit date:2015-06-18
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.23 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ARGININE KINASE, D-ARGININE, ...
Authors:Zhou, G, Somasundaram, T, Blanc, E, Parthasarathy, G, Ellington, W.R, Chapman, M.S.
Deposit date:1998-06-03
Release date:1998-10-14
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.86 Å)
Cite: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
Descriptor: (8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
Authors:Soisson, S.M, Parthasarathy, G, Becker, J.W.
Deposit date:2007-11-19
Release date:2008-03-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification of a potent synthetic FXR agonist with an unexpected mode of binding and activation.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3G11
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BU of 3g11 by Molmil
Structure of E. coli FabF(C163Q) in complex with dihydrophenyl platensimycin
Descriptor: 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
Authors:Soisson, S.M, Parthasarathy, G.
Deposit date:2009-01-29
Release date:2009-03-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 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
Authors:Soisson, S.M, Parthasarathy, G.
Deposit date:2009-01-29
Release date:2009-03-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Synthesis and biological evaluation of platensimycin analogs.
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
Descriptor: 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
Authors:Soisson, S.M, Parthasarathy, G.
Deposit date:2009-06-01
Release date:2010-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, PLATENSIMYCIN
Authors:Soisson, S.M, Parthasarathy, G.
Deposit date:2009-06-01
Release date:2010-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Isolation, enzyme-bound structure and antibacterial activity of platencin A1 from Streptomyces platensis.
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
Descriptor: 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
Authors:Soisson, S.M, Parthasarathy, G.
Deposit date:2009-06-01
Release date:2010-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Isolation, enzyme-bound structure and antibacterial activity of platencin A1 from Streptomyces platensis.
Bioorg.Med.Chem.Lett., 19, 2009
6UCG
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BU of 6ucg by Molmil
Retinoic acid receptor-related orphan receptor (ROR) gamma in complex with allosteric compound 28
Descriptor: (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
Authors:Palte, R.L, Parthasarathy, G.
Deposit date:2019-09-16
Release date:2020-03-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Discovery ofN-(Indazol-3-yl)piperidine-4-carboxylic Acids as ROR gamma t Allosteric Inhibitors for Autoimmune Diseases.
Acs Med.Chem.Lett., 11, 2020
2GFX
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BU of 2gfx by Molmil
Structure of E. coli FabF(C163Q) in complex with Platensimycin
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, PLATENSIMYCIN
Authors:Soisson, S.M, Parthasarathy, G.
Deposit date:2006-03-23
Release date:2006-05-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Platensimycin is a selective FabF inhibitor with potent antibiotic properties.
Nature, 441, 2006
2GFW
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BU of 2gfw by Molmil
Structure of wild type E. coli FabF (KASII)
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2
Authors:Soisson, S.M, Parthasarathy, G.
Deposit date:2006-03-23
Release date:2006-05-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2
Authors:Soisson, S.M, Parthasarathy, G.
Deposit date:2006-03-23
Release date:2006-05-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.29 Å)
Cite: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
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, LAURIC ACID
Authors:Soisson, S.M, Parthasarathy, G.
Deposit date:2006-03-23
Release date:2006-05-23
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Platensimycin is a selective FabF inhibitor with potent antibiotic properties.
Nature, 441, 2006
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)
Descriptor: AMP PHOSPHORAMIDATE, G protein-coupled receptor kinase 4
Authors:Allen, S.J, Parthasarathy, G, Soisson, S, Munshi, S.
Deposit date:2015-02-27
Release date:2015-07-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and Function of the Hypertension Variant A486V of G Protein-coupled Receptor Kinase 4.
J.Biol.Chem., 290, 2015
4DXD
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BU of 4dxd by Molmil
Staphylococcal Aureus FtsZ in complex with 723
Descriptor: 3-[(6-chloro[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE
Authors:Lu, J, Soisson, S.M.
Deposit date:2012-02-27
Release date:2012-05-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Restoring methicillin-resistant Staphylococcus aureus susceptibility to beta-lactam antibiotics.
Sci Transl Med, 4, 2012
3I8P
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BU of 3i8p by Molmil
Crystal structure of E. coli FabF(C163A) in complex with Platensimycin A1
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, Platensimycin A1
Authors:Soisson, S.M, Parthsarathy, G.
Deposit date:2009-07-09
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Isolation, enzyme-bound structure and antibacterial activity of platencin A1 from Streptomyces platensis.
Bioorg.Med.Chem.Lett., 19, 2009

 

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