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PDB: 61 results
3DY6
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BU of 3dy6 by Molmil
PPARdelta complexed with an anthranilic acid partial agonist
Descriptor: 2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid, IODIDE ION, Peroxisome proliferator-activated receptor delta
Authors:Lambert, M.L, Xu, R, Shearer, B.G, Wilson, T.M.
Deposit date:2008-07-25
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of a novel class of PPARdelta partial agonists
Bioorg.Med.Chem.Lett., 18, 2008
3PEQ
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BU of 3peq by Molmil
PPARd complexed with a phenoxyacetic acid partial agonist
Descriptor: IODIDE ION, Peroxisome proliferator-activated receptor delta, [(4-{butyl[2-methyl-4'-(methylsulfanyl)biphenyl-3-yl]sulfamoyl}naphthalen-1-yl)oxy]acetic acid, ...
Authors:Lambert, M.H, Evans, K.A, Shearer, B.G, Wisnoski, D.D, Shi, D, Jin, J, Rivero, R.A, Sparks, S.M, Winegar, D.A, Billin, A.N, Britt, C, Way, J.M, Leesnitzer, L.M, Merrihew, R.V.
Deposit date:2010-10-27
Release date:2011-10-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Phenoxyacetic acid PPARd partial agonists for the treatment of type 2 diabetes: synthesis, optimization, and in vivo efficacy
Bioorg.Med.Chem.Lett., 21, 2011
3S9S
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BU of 3s9s by Molmil
Ligand binding domain of PPARgamma complexed with a benzimidazole partial agonist
Descriptor: 1-(3,4-dichlorobenzyl)-2-methyl-N-[(1R)-1-phenylpropyl]-1H-benzimidazole-5-carboxamide, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
Authors:Lambert, M.H, Xu, R.X.
Deposit date:2011-06-02
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of GSK1997132B a novel centrally penetrant benzimidazole PPARgamma partial agonist.
Bioorg.Med.Chem.Lett., 21, 2011
8ASO
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BU of 8aso by Molmil
Nickel(II) bound to a non-canonical quadruplex
Descriptor: COBALT HEXAMMINE(III), DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3'), NICKEL (II) ION
Authors:Lambert, M.C, Hall, J.P.
Deposit date:2022-08-19
Release date:2023-08-30
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Identifying metal-DNA binding sites, what is the best method to get transition metals into a crystal system?
To Be Published
8ASM
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BU of 8asm by Molmil
Cobalt(II) bound to a non-canonical quadruplex
Descriptor: COBALT (II) ION, COBALT HEXAMMINE(III), DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3')
Authors:Lambert, M.C, Hall, J.P.
Deposit date:2022-08-19
Release date:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identifying metal-DNA binding sites, what is the best method to get transition metals into a crystal system?
To Be Published
8BAG
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BU of 8bag by Molmil
Copper(II) bound to a non-canonical quadruplex containing the damaged base 8-oxoguanine
Descriptor: COBALT HEXAMMINE(III), COPPER (II) ION, DNA (5'-D(*(8OG)P*CP*AP*TP*GP*CP*T)-3')
Authors:Lambert, M.C, Hall, J.P.
Deposit date:2022-10-11
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Oxidative damage induce copper(II)-DNA binding
To Be Published
8BAE
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BU of 8bae by Molmil
Copper(II) bound to a non-canonical quadruplex
Descriptor: COBALT HEXAMMINE(III), COPPER (II) ION, DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3')
Authors:Lambert, M.C, Hall, J.P.
Deposit date:2022-10-11
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Oxidative damage induce copper(II)-DNA binding
To Be Published
8BAF
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Non-canonical quadruplex containing the oxidation product 8-oxoguanine
Descriptor: COBALT HEXAMMINE(III), DNA (5'-D(*(8OG)P*CP*AP*TP*GP*CP*T)-3')
Authors:Lambert, M.C, Hall, J.P.
Deposit date:2022-10-11
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Oxidative damage induce copper(II)-DNA binding
To Be Published
8OE8
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BU of 8oe8 by Molmil
Crystal structure of the Z-DNA duplex d(CGCGCG) containing ordered copper(II) and soaked in hydrogen peroxide for an hour
Descriptor: COPPER (II) ION, DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), HYDROGEN PEROXIDE, ...
Authors:Lambert, M.C, Hall, J.P.
Deposit date:2023-03-10
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural analysis of peroxide-soaked DNA crystals containing ordered copper binding sites: towards understanding oxidative damage at the atomic scale
To Be Published
8OE7
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BU of 8oe7 by Molmil
Crystal structure of the Z-DNA duplex d(CGCGCG) containing ordered copper(II) and soaked in hydrogen peroxide for 5 minutes
Descriptor: COPPER (II) ION, DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), HYDROGEN PEROXIDE
Authors:Lambert, M.C, Hall, J.P.
Deposit date:2023-03-10
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural analysis of peroxide-soaked DNA crystals containing ordered copper binding sites: towards understanding oxidative damage at the atomic scale
To Be Published
8OEA
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BU of 8oea by Molmil
Crystal structure of the Z-DNA duplex d(CGCGCG) soaked in copper(II) chloride, in preparation to hydrogen peroxide soaking, first collection at room temperature
Descriptor: COPPER (II) ION, DNA (5'-D(*CP*GP*CP*GP*CP*G)-3')
Authors:Lambert, M.C, Hall, J.P.
Deposit date:2023-03-10
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural analysis of peroxide-soaked DNA crystals containing ordered copper binding sites: towards understanding oxidative damage at the atomic scale
To Be Published
8OE3
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BU of 8oe3 by Molmil
Crystal structure of the non-canonical quadruplex d(GCATGCT) before soaking
Descriptor: COBALT HEXAMMINE(III), DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3')
Authors:Lambert, M.C, Hall, J.P.
Deposit date:2023-03-10
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Oxidative damage induce copper(II)-DNA binding
To Be Published
8OEB
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BU of 8oeb by Molmil
Crystal structure of the Z-DNA duplex d(CGCGCG) containing ordered copper(II) and soaked in hydrogen peroxide for 30 minutes, second collection at room temperature
Descriptor: COPPER (II) ION, DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), SPERMINE
Authors:Lambert, M.C, Hall, J.P.
Deposit date:2023-03-10
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analysis of peroxide-soaked DNA crystals containing ordered copper binding sites: towards understanding oxidative damage at the atomic scale
To Be Published
8OEX
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BU of 8oex by Molmil
Crystal structure of the native Z-DNA duplex d(CGCGCG) before soaking of CuCl2
Descriptor: DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), SPERMINE
Authors:Lambert, M.C, Hall, J.P.
Deposit date:2023-03-13
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Structural analysis of peroxide-soaked DNA crystals containing ordered copper binding sites: towards understanding oxidative damage at the atomic scale
To Be Published
8OEZ
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BU of 8oez by Molmil
Crystal structure of the Z-DNA hexamer d(CGCGCG) with Iron(II) chloride
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), FE (II) ION
Authors:Lambert, M.C, Hall, J.P.
Deposit date:2023-03-13
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Iron binding preferences: observing metal coordination before oxidative damage.
To Be Published
8OE9
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BU of 8oe9 by Molmil
Crystal structure of the Z-DNA duplex d(CGCGCG) soaked in copper(II) chloride and hydrogen peroxide
Descriptor: DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), SPERMINE
Authors:Lambert, M.C, Hall, J.P.
Deposit date:2023-03-10
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Structural analysis of peroxide-soaked DNA crystals containing ordered copper binding sites: towards understanding oxidative damage at the atomic scale
To Be Published
8OEC
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BU of 8oec by Molmil
Crystal structure of the Z-DNA duplex d(CGCGCG) containing ordered copper(II) and soaked in hydrogen peroxide for another 30 minutes, third collection at room temperature
Descriptor: COPPER (II) ION, DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), SPERMINE
Authors:Lambert, M.C, Hall, J.P.
Deposit date:2023-03-10
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of peroxide-soaked DNA crystals containing ordered copper binding sites: towards understanding oxidative damage at the atomic scale
To Be Published
1I2U
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BU of 1i2u by Molmil
NMR SOLUTION STRUCTURES OF ANTIFUNGAL HELIOMICIN
Descriptor: DEFENSIN HELIOMICIN
Authors:Lamberty, M, Caille, A, Landon, C, Tassin-Moindrot, S, Hetru, C, Bulet, P, Vovelle, F.
Deposit date:2001-02-12
Release date:2002-02-12
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structures of the antifungal heliomicin and a selected variant with both antibacterial and antifungal activities.
Biochemistry, 40, 2001
1I2V
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BU of 1i2v by Molmil
NMR SOLUTION STRUCTURES OF AN ANTIFUNGAL AND ANTIBACTERIAL MUTANT OF HELIOMICIN
Descriptor: DEFENSIN HELIOMICIN
Authors:Lamberty, M, Caille, A, Landon, C, Tassin-Moindrot, S, Hetru, C, Bulet, P, Vovelle, F.
Deposit date:2001-02-12
Release date:2002-02-12
Last modified:2021-10-27
Method:SOLUTION NMR
Cite:Solution structures of the antifungal heliomicin and a selected variant with both antibacterial and antifungal activities.
Biochemistry, 40, 2001
8Y4Z
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BU of 8y4z by Molmil
Monomeric HERC5 HECT c-lobe structure in solution
Descriptor: E3 ISG15--protein ligase HERC5
Authors:Dag, C, Lambert, M, Kahraman, K, Lohn, F, Lee, W, Gocenler, O, Guntert, P, Dotsch, V.
Deposit date:2024-01-31
Release date:2024-02-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Monomeric HERC5 HECT c-lobe structure in solution
To Be Published
2AA2
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BU of 2aa2 by Molmil
Mineralocorticoid Receptor with Bound Aldosterone
Descriptor: ALDOSTERONE, GLYCEROL, Mineralocorticoid receptor, ...
Authors:Bledsoe, R.K, Madauss, K.P, Holt, J.A, Apolito, C.J, Lambert, M.H, Pearce, K.H, Stanley, T.B, Stewart, E.L, Trump, R.P, Willson, T.M, Williams, S.P.
Deposit date:2005-07-13
Release date:2005-07-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A Ligand-mediated Hydrogen Bond Network Required for the Activation of the Mineralocorticoid Receptor
J.Biol.Chem., 280, 2005
2AA6
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BU of 2aa6 by Molmil
Mineralocorticoid Receptor S810L Mutant with Bound Progesterone
Descriptor: Mineralocorticoid receptor, PROGESTERONE
Authors:Bledsoe, R.K, Madauss, K.P, Holt, J.A, Apolito, C.J, Lambert, M.H, Pearce, K.H, Stanley, T.B, Stewart, E.L, Trump, R.P, Willson, T.M, Williams, S.P.
Deposit date:2005-07-13
Release date:2005-07-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A Ligand-mediated Hydrogen Bond Network Required for the Activation of the Mineralocorticoid Receptor
J.Biol.Chem., 280, 2005
2AA7
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BU of 2aa7 by Molmil
Mineralocorticoid Receptor with Bound Deoxycorticosterone
Descriptor: DESOXYCORTICOSTERONE, GLYCEROL, Mineralocorticoid receptor, ...
Authors:Bledsoe, R.K, Madauss, K.P, Holt, J.A, Apolito, C.J, Lambert, M.H, Pearce, K.H, Stanley, T.B, Stewart, E.L, Trump, R.P, Willson, T.M, Williams, S.P.
Deposit date:2005-07-13
Release date:2005-07-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Ligand-mediated Hydrogen Bond Network Required for the Activation of the Mineralocorticoid Receptor
J.Biol.Chem., 280, 2005
2AB2
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BU of 2ab2 by Molmil
Mineralocorticoid Receptor Double Mutant with Bound Spironolactone
Descriptor: Mineralocorticoid receptor, SPIRONOLACTONE, SULFATE ION
Authors:Bledsoe, R.K, Madauss, K.P, Holt, J.A, Apolito, C.J, Lambert, M.H, Pearce, K.H, Stanley, T.B, Stewart, E.L, Trump, R.P, Willson, T.M, Williams, S.P.
Deposit date:2005-07-14
Release date:2005-07-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Ligand-mediated Hydrogen Bond Network Required for the Activation of the Mineralocorticoid Receptor
J.Biol.Chem., 280, 2005
7AMA
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BU of 7ama by Molmil
IL-17A in complex with small molecule modulators
Descriptor: Interleukin-17A, ~{N}-[(2~{S})-1,1-dicyclopropyl-3-[[4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)phenyl]amino]-3-oxidanylidene-propan-2-yl]-2-propan-2-yl-pyrazole-3-carboxamide
Authors:Hakansson, M, Kimbung, R, Logan, D, Walse, U.B, de Groot, M.J, Andrews, M.D, Dack, K.N, Lambert, M.
Deposit date:2020-10-08
Release date:2022-04-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Discovery of an Oral, Rule of 5 Compliant, Interleukin 17A Protein-Protein Interaction Modulator for the Potential Treatment of Psoriasis and Other Inflammatory Diseases.
J.Med.Chem., 65, 2022

 

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