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PDB: 58 件
8ASM
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BU of 8asm by Molmil
Cobalt(II) bound to a non-canonical quadruplex
分子名称: COBALT (II) ION, COBALT HEXAMMINE(III), DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3')
著者Lambert, M.C, Hall, J.P.
登録日2022-08-19
公開日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Identifying metal-DNA binding sites, what is the best method to get transition metals into a crystal system?
To Be Published
8ASO
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BU of 8aso by Molmil
Nickel(II) bound to a non-canonical quadruplex
分子名称: COBALT HEXAMMINE(III), DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3'), NICKEL (II) ION
著者Lambert, M.C, Hall, J.P.
登録日2022-08-19
公開日2023-08-30
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Identifying metal-DNA binding sites, what is the best method to get transition metals into a crystal system?
To Be Published
3DY6
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BU of 3dy6 by Molmil
PPARdelta complexed with an anthranilic acid partial agonist
分子名称: 2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid, IODIDE ION, Peroxisome proliferator-activated receptor delta
著者Lambert, M.L, Xu, R, Shearer, B.G, Wilson, T.M.
登録日2008-07-25
公開日2008-10-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of a novel class of PPARdelta partial agonists
Bioorg.Med.Chem.Lett., 18, 2008
3S9S
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BU of 3s9s by Molmil
Ligand binding domain of PPARgamma complexed with a benzimidazole partial agonist
分子名称: 1-(3,4-dichlorobenzyl)-2-methyl-N-[(1R)-1-phenylpropyl]-1H-benzimidazole-5-carboxamide, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
著者Lambert, M.H, Xu, R.X.
登録日2011-06-02
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of GSK1997132B a novel centrally penetrant benzimidazole PPARgamma partial agonist.
Bioorg.Med.Chem.Lett., 21, 2011
3PEQ
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BU of 3peq by Molmil
PPARd complexed with a phenoxyacetic acid partial agonist
分子名称: IODIDE ION, Peroxisome proliferator-activated receptor delta, [(4-{butyl[2-methyl-4'-(methylsulfanyl)biphenyl-3-yl]sulfamoyl}naphthalen-1-yl)oxy]acetic acid, ...
著者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.
登録日2010-10-27
公開日2011-10-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Phenoxyacetic acid PPARd partial agonists for the treatment of type 2 diabetes: synthesis, optimization, and in vivo efficacy
Bioorg.Med.Chem.Lett., 21, 2011
8BAE
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BU of 8bae by Molmil
Copper(II) bound to a non-canonical quadruplex
分子名称: COBALT HEXAMMINE(III), COPPER (II) ION, DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3')
著者Lambert, M.C, Hall, J.P.
登録日2022-10-11
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Oxidative damage induce copper(II)-DNA binding
To Be Published
8BAF
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BU of 8baf by Molmil
Non-canonical quadruplex containing the oxidation product 8-oxoguanine
分子名称: COBALT HEXAMMINE(III), DNA (5'-D(*(8OG)P*CP*AP*TP*GP*CP*T)-3')
著者Lambert, M.C, Hall, J.P.
登録日2022-10-11
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Oxidative damage induce copper(II)-DNA binding
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
分子名称: COBALT HEXAMMINE(III), COPPER (II) ION, DNA (5'-D(*(8OG)P*CP*AP*TP*GP*CP*T)-3')
著者Lambert, M.C, Hall, J.P.
登録日2022-10-11
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Oxidative damage induce copper(II)-DNA binding
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
分子名称: COPPER (II) ION, DNA (5'-D(*CP*GP*CP*GP*CP*G)-3')
著者Lambert, M.C, Hall, J.P.
登録日2023-03-10
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献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
分子名称: COPPER (II) ION, DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), HYDROGEN PEROXIDE
著者Lambert, M.C, Hall, J.P.
登録日2023-03-10
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structural analysis of peroxide-soaked DNA crystals containing ordered copper binding sites: towards understanding oxidative damage at the atomic scale
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
分子名称: COPPER (II) ION, DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), HYDROGEN PEROXIDE, ...
著者Lambert, M.C, Hall, J.P.
登録日2023-03-10
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural analysis of peroxide-soaked DNA crystals containing ordered copper binding sites: towards understanding oxidative damage at the atomic scale
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
分子名称: DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), SPERMINE
著者Lambert, M.C, Hall, J.P.
登録日2023-03-10
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献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
分子名称: CHLORIDE ION, DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), FE (II) ION
著者Lambert, M.C, Hall, J.P.
登録日2023-03-13
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Iron binding preferences: observing metal coordination before oxidative damage.
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
分子名称: COPPER (II) ION, DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), SPERMINE
著者Lambert, M.C, Hall, J.P.
登録日2023-03-10
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: COBALT HEXAMMINE(III), DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3')
著者Lambert, M.C, Hall, J.P.
登録日2023-03-10
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Oxidative damage induce copper(II)-DNA binding
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
分子名称: COPPER (II) ION, DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), SPERMINE
著者Lambert, M.C, Hall, J.P.
登録日2023-03-10
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
分子名称: DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), SPERMINE
著者Lambert, M.C, Hall, J.P.
登録日2023-03-13
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Structural analysis of peroxide-soaked DNA crystals containing ordered copper binding sites: towards understanding oxidative damage at the atomic scale
To Be Published
8Y4Z
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BU of 8y4z by Molmil
Monomeric HERC5 HECT c-lobe structure in solution
分子名称: E3 ISG15--protein ligase HERC5
著者Dag, C, Lambert, M, Kahraman, K, Lohn, F, Lee, W, Gocenler, O, Guntert, P, Dotsch, V.
登録日2024-01-31
公開日2024-02-14
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Monomeric HERC5 HECT c-lobe structure in solution
To Be Published
7AMA
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BU of 7ama by Molmil
IL-17A in complex with small molecule modulators
分子名称: 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
著者Hakansson, M, Kimbung, R, Logan, D, Walse, U.B, de Groot, M.J, Andrews, M.D, Dack, K.N, Lambert, M.
登録日2020-10-08
公開日2022-04-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献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
7AMG
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BU of 7amg by Molmil
IL-17A in complex with small molecule modulators
分子名称: (3~{R})-4-[4-[[(2~{S})-2-[[2,2-bis(fluoranyl)-2-phenyl-ethanoyl]amino]-3-(2-chlorophenyl)propanoyl]amino]phenyl]-3-[[(2~{S})-3-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethanoylamino]butanoyl]amino]butanoic acid, Interleukin-17A
著者Hakansson, M, Kimbung, R, Logan, D, Walse, U.B, de Groot, M.J, Andrews, M.D, Dack, K.N, Lambert, M.
登録日2020-10-08
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献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
1CGL
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BU of 1cgl by Molmil
Structure of the catalytic domain of fibroblast collagenase complexed with an inhibitor
分子名称: CALCIUM ION, FIBROBLAST COLLAGENASE, N-[(1S)-3-{[(benzyloxy)carbonyl]amino}-1-carboxypropyl]-L-leucyl-N-(2-morpholin-4-ylethyl)-L-phenylalaninamide, ...
著者Lovejoy, B, Cleasby, A, Hassell, A.M, Longley, K, Luther, M.A, Weigl, D, Mcgeehan, G, Mcelroy, A.B, Drewry, D, Lambert, M.H, Jordan, S.R.
登録日1993-11-17
公開日1995-02-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the catalytic domain of fibroblast collagenase complexed with an inhibitor.
Science, 263, 1994
1KKQ
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BU of 1kkq by Molmil
Crystal structure of the human PPAR-alpha ligand-binding domain in complex with an antagonist GW6471 and a SMRT corepressor motif
分子名称: N-((2S)-2-({(1Z)-1-METHYL-3-OXO-3-[4-(TRIFLUOROMETHYL) PHENYL]PROP-1-ENYL}AMINO)-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL)PROPANAMIDE, NUCLEAR RECEPTOR CO-REPRESSOR 2, PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR
著者Xu, H.E, Stanley, T.B, Montana, V.G, Lambert, M.H, Shearer, B.G, Cobb, J.E, McKee, D.D, Galardi, C.M, Nolte, R.T, Parks, D.J.
登録日2001-12-10
公開日2002-02-20
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for antagonist-mediated recruitment of nuclear co-repressors by PPARalpha.
Nature, 415, 2002
1G1U
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BU of 1g1u by Molmil
THE 2.5 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF THE RXRALPHA LIGAND BINDING DOMAIN IN TETRAMER IN THE ABSENCE OF LIGAND
分子名称: RETINOIC ACID RECEPTOR RXR-ALPHA
著者Gampe Jr, R.T, Montana, V.G, Lambert, M.H, Wisely, G.B, Milburn, M.V, Xu, H.E.
登録日2000-10-13
公開日2001-04-25
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for autorepression of retinoid X receptor by tetramer formation and the AF-2 helix.
Genes Dev., 14, 2000
1G5Y
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BU of 1g5y by Molmil
THE 2.0 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF THE RXRALPHA LIGAND BINDING DOMAIN TETRAMER IN THE PRESENCE OF A NON-ACTIVATING RETINOIC ACID ISOMER.
分子名称: RETINOIC ACID, RETINOIC ACID RECEPTOR RXR-ALPHA
著者Gampe Jr, R.T, Montana, V.G, Lambert, M.H, Wisely, G.B, Milburn, M.V, Xu, H.E.
登録日2000-11-02
公開日2001-05-02
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for autorepression of retinoid X receptor by tetramer formation and the AF-2 helix.
Genes Dev., 14, 2000
2P54
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BU of 2p54 by Molmil
a crystal structure of PPAR alpha bound with SRC1 peptide and GW735
分子名称: 2-METHYL-2-(4-{[({4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-5-YL}CARBONYL)AMINO]METHYL}PHENOXY)PROPANOIC ACID, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor alpha
著者Xu, R.X, Xu, H.E, Sierra, M.L, Montana, V.G, Lambert, M.H, Pianetti, P.M.
登録日2007-03-14
公開日2007-04-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Substituted 2-[(4-Aminomethyl)phenoxy]-2-methylpropionic Acid PPAR Agonists. 1.Discovery of a Novel Series of Potent HDLc Raising Agents.
J.Med.Chem., 50, 2007

 

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