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5I4V
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BU of 5i4v by Molmil
Discovery of novel, orally efficacious Liver X Receptor (LXR) beta agonists
分子名称: Oxysterols receptor LXR-beta,Nuclear receptor coactivator 2, Retinoic acid receptor RXR-beta,Nuclear receptor coactivator 2, {2-[(2R)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol
著者Chen, G, McKeever, B.M.
登録日2016-02-12
公開日2016-06-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Discovery of a Novel, Orally Efficacious Liver X Receptor (LXR) beta Agonist.
J.Med.Chem., 59, 2016
4G76
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BU of 4g76 by Molmil
Structure of PaeM, a colicin M-like bacteriocin produced by Pseudomonas aeruginosa
分子名称: Phosphodiesterase
著者Touze, T, Graille, M, Mengin-Lecreulx, D.
登録日2012-07-20
公開日2012-09-12
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.385 Å)
主引用文献Functional and Structural Characterization of PaeM, a Colicin M-like Bacteriocin Produced by Pseudomonas aeruginosa.
J.Biol.Chem., 287, 2012
4GGK
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BU of 4ggk by Molmil
Crystal structure of Zucchini from mouse (mZuc / PLD6 / MitoPLD) bound to tungstate
分子名称: Mitochondrial cardiolipin hydrolase, TUNGSTATE(VI)ION, ZINC ION
著者Ipsaro, J.J, Haase, A.D, Hannon, G.J, Joshua-Tor, L.
登録日2012-08-06
公開日2012-10-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The structural biochemistry of Zucchini implicates it as a nuclease in piRNA biogenesis.
Nature, 491, 2012
1WVJ
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BU of 1wvj by Molmil
Exploring the GluR2 ligand-binding core in complex with the bicyclic AMPA analogue (S)-4-AHCP
分子名称: 3-(3-HYDROXY-7,8-DIHYDRO-6H-CYCLOHEPTA[D]ISOXAZOL-4-YL)-L-ALANINE, GLYCEROL, SULFATE ION, ...
著者Nielsen, B.B, Pickering, D.S, Greenwood, J.R, Brehm, L, Gajhede, M, Schousboe, A, Kastrup, J.S.
登録日2004-12-15
公開日2005-04-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Exploring the GluR2 ligand-binding core in complex with the bicyclical AMPA analogue (S)-4-AHCP
FEBS J., 272, 2005
3MRV
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BU of 3mrv by Molmil
Glycogen phosphorylase complexed with 3-hydroxybenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
分子名称: DIMETHYL SULFOXIDE, Glycogen phosphorylase, muscle form, ...
著者Alexacou, K.-M.
登録日2010-04-29
公開日2011-01-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18, 2010
3MT8
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BU of 3mt8 by Molmil
Glycogen phosphorylase complexed with 4-chlorobenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone
分子名称: Glycogen phosphorylase, muscle form, N-({(2E)-2-[(4-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
著者Alexacou, K.-M.
登録日2010-04-30
公開日2011-01-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18, 2010
3MT7
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BU of 3mt7 by Molmil
Glycogen phosphorylase complexed with 4-bromobenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone
分子名称: Glycogen phosphorylase, muscle form, N-({(2E)-2-[(4-bromophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
著者Alexacou, K.-M.
登録日2010-04-30
公開日2011-01-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18, 2010
1TVQ
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BU of 1tvq by Molmil
Crystal Structure of Apo Chicken Liver Basic Fatty Acid Binding Protein (or Bile Acid Binding Protein)
分子名称: Fatty acid-binding protein
著者Nichesola, D, Perduca, M, Capaldi, S, Carrizo, M.E, Righetti, P.G, Monaco, H.L.
登録日2004-06-30
公開日2004-11-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of chicken liver basic Fatty Acid-binding protein complexed with cholic acid
Biochemistry, 43, 2004
1TW4
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BU of 1tw4 by Molmil
Crystal Structure of Chicken Liver Basic Fatty Acid Binding Protein (Bile Acid Binding Protein) Complexed With Cholic Acid
分子名称: CHOLIC ACID, Fatty acid-binding protein
著者Nichesola, D, Perduca, M, Capaldi, S, Carrizo, M.E, Righetti, P.G, Monaco, H.L.
登録日2004-06-30
公開日2004-11-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of chicken liver basic Fatty Acid-binding protein complexed with cholic acid
Biochemistry, 43, 2004
8HTG
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BU of 8htg by Molmil
Crystal structure of Golf in complex with GTP-gamma S and Mg
分子名称: 1,2-ETHANEDIOL, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Guanine nucleotide-binding protein G(olf) subunit alpha, ...
著者Kang, H, Choi, H.-J.
登録日2022-12-21
公開日2023-12-20
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Understanding the molecular mechanisms of odorant binding and activation of the human OR52 family.
Nat Commun, 14, 2023
3LV2
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BU of 3lv2 by Molmil
Crystal structure of Mycobacterium tuberculosis 7,8-diaminopelargonic acid synthase in complex with substrate analog sinefungin
分子名称: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SINEFUNGIN
著者Dey, S, Sacchettini, J.C.
登録日2010-02-19
公開日2010-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structural characterization of the Mycobacterium tuberculosis biotin biosynthesis enzymes 7,8-diaminopelargonic acid synthase and dethiobiotin synthetase .
Biochemistry, 49, 2010
4UYA
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BU of 4uya by Molmil
Structure of MLK4 kinase domain with ATPgammaS
分子名称: MAGNESIUM ION, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE MLK4, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
著者Read, J.A, Brassington, C, Pollard, H.K, Phillips, C, Green, I, Overmann, R, Collier, M.
登録日2014-08-29
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Recurrent Mlk4 Loss-of-Function Mutations Suppress Jnk Signaling to Promote Colon Tumorigenesis.
Cancer Res., 76, 2016
3BR1
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BU of 3br1 by Molmil
Crystal Structure of the Complex of Dequalinium Bound to QacR(E90Q), a Mutant of a Multidrug Binding Transcriptional Repressor
分子名称: DEQUALINIUM, HTH-type transcriptional regulator qacR, SULFATE ION
著者Brooks, B.E.
登録日2007-12-20
公開日2008-12-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Formal electrostatic interactions do not govern QacR-cation affinity
To be Published
2Q9E
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BU of 2q9e by Molmil
Structure of spin-labeled T4 lysozyme mutant S44R1
分子名称: 2-HYDROXYETHYL DISULFIDE, Lysozyme, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
著者Guo, Z, Cascio, D, Hideg, K, Hubbell, W.L.
登録日2007-06-12
公開日2007-06-26
最終更新日2023-08-30
実験手法EPR (2.1 Å), X-RAY DIFFRACTION
主引用文献Structural determinants of nitroxide motion in spin-labeled proteins: Solvent-exposed sites in helix B of T4 lysozyme.
Protein Sci., 17, 2008
3BR2
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BU of 3br2 by Molmil
Crystal Structure of the Complex of Dequalinium Bound to QacR(E120Q), a Mutant of a Multidrug Binding Transcriptional Repressor
分子名称: DEQUALINIUM, HTH-type transcriptional regulator qacR, SULFATE ION
著者Brooks, B.E.
登録日2007-12-20
公開日2008-12-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Formal electrostatic interactions do not govern QacR-cation affinity
To be Published
3BR3
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BU of 3br3 by Molmil
Crystal Structure of the Complex of Ethidium Bound to QacR(E90Q), a Mutant of a Multidrug Binding Transcriptional Repressor
分子名称: ETHIDIUM, HTH-type transcriptional regulator qacR, SULFATE ION
著者Brooks, B.E.
登録日2007-12-20
公開日2008-12-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Formal electrostatic interactions do not govern QacR-cation affinity
To be Published
3BR0
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BU of 3br0 by Molmil
Crystal Structure of the Complex of Malachite Green Bound to QacR(E120Q), a Mutant of a Multidrug Binding Transcriptional Repressor
分子名称: HTH-type transcriptional regulator qacR, IMIDAZOLE, MALACHITE GREEN, ...
著者Brooks, B.E.
登録日2007-12-20
公開日2008-12-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Formal electrostatic interactions do not govern QacR-cation affinity
To be Published
3BQZ
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BU of 3bqz by Molmil
Crystal Structure of the Complex of Malachite Green Bound to QacR(E90Q), a Mutant of a Multidrug Binding Transcriptional Repressor
分子名称: HTH-type transcriptional regulator qacR, IMIDAZOLE, MALACHITE GREEN, ...
著者Brooks, B.E.
登録日2007-12-20
公開日2008-12-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Formal electrostatic interactions do not govern QacR-cation affinity
To be Published
3BR6
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BU of 3br6 by Molmil
Crystal Structure of the Complex of Rhodamine 6G Bound to QacR(E120Q), a Mutant of a Multidrug Binding Transcriptional Repressor
分子名称: HTH-type transcriptional regulator qacR, RHODAMINE 6G, SULFATE ION
著者Brooks, B.E.
登録日2007-12-20
公開日2008-12-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Formal electrostatic interactions do not govern QacR-cation affinity
To be Published
3BR5
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BU of 3br5 by Molmil
Crystal Structure of the Complex of Rhodamine 6G Bound to QacR(E90Q), a Mutant of a Multidrug Binding Transcriptional Repressor
分子名称: HTH-type transcriptional regulator qacR, RHODAMINE 6G, SULFATE ION
著者Brooks, B.E.
登録日2007-12-20
公開日2008-12-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Formal electrostatic interactions do not govern QacR-cation affinity
To be Published
2Q9D
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BU of 2q9d by Molmil
Structure of spin-labeled T4 lysozyme mutant A41R1
分子名称: BETA-MERCAPTOETHANOL, Lysozyme, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
著者Guo, Z, Cascio, D, Hideg, K, Hubbell, W.L.
登録日2007-06-12
公開日2007-06-26
最終更新日2023-08-30
実験手法EPR (1.4 Å), X-RAY DIFFRACTION
主引用文献Structural determinants of nitroxide motion in spin-labeled proteins: Solvent-exposed sites in helix B of T4 lysozyme.
Protein Sci., 17, 2008
3D1M
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BU of 3d1m by Molmil
Crystal Structure of Sonic Hedgehog Bound to the third FNIII domain of CDO
分子名称: CALCIUM ION, Cell adhesion molecule, Sonic hedgehog protein, ...
著者McLellan, J.S, Leahy, D.J.
登録日2008-05-06
公開日2008-09-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The mode of Hedgehog binding to Ihog homologues is not conserved across different phyla.
Nature, 455, 2008
1SVJ
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BU of 1svj by Molmil
The solution structure of the nucleotide binding domain of KdpB
分子名称: Potassium-transporting ATPase B chain
著者Haupt, M, Bramkamp, M, Coles, M, Altendorf, K, Kessler, H.
登録日2004-03-29
公開日2004-09-21
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Inter-domain motions of the N-domain of the KdpFABC complex, a P-type ATPase, are not driven by ATP-induced conformational changes.
J.Mol.Biol., 342, 2004
4W1W
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BU of 4w1w by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with 7-(diethylamino)-3-(thiophene-2-carbonyl)-2H-chromen-2-one
分子名称: 1,2-ETHANEDIOL, 7-(diethylamino)-3-(thiophen-2-ylcarbonyl)-2H-chromen-2-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ...
著者Finzel, B.C, Ran, D.
登録日2014-08-13
公開日2015-02-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis.
Chem.Biol., 22, 2015
1U7Q
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BU of 1u7q by Molmil
THE SOLUTION STRUCTURE OF THE NUCLEOTIDE BINDING DOMAIN OF KDPB
分子名称: Potassium-transporting ATPase B chain
著者Haupt, M, Bramkamp, M, Coles, M, Altendorf, K, Kessler, H.
登録日2004-08-04
公開日2004-09-21
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Inter-domain motions of the N-domain of the KdpFABC complex, a P-type ATPase, are not driven by ATP-induced conformational changes.
J.Mol.Biol., 342, 2004

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