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6IS3
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Crystal Structure of Staphylococcus aureus response regulator ArlR receiver domain
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Response regulator ArlR
著者Wen, Y, Ouyang, Z.
登録日2018-11-15
公開日2019-10-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.549 Å)
主引用文献Deciphering the activation and recognition mechanisms of Staphylococcus aureus response regulator ArlR.
Nucleic Acids Res., 47, 2019
1GWX
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BU of 1gwx by Molmil
MOLECULAR RECOGNITION OF FATTY ACIDS BY PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS
分子名称: 2-(4-{3-[1-[2-(2-CHLORO-6-FLUORO-PHENYL)-ETHYL]-3-(2,3-DICHLORO-PHENYL)-UREIDO]-PROPYL}-PHENOXY)-2-METHYL-PROPIONIC ACID, PROTEIN (PPAR-DELTA)
著者Xu, H.E, Lambert, M.H, Montana, V.G, Park, D.J, Blanchard, S, Brown, P, Sternbach, D, Lehmann, J, Bruce, G.W, Willson, T.M, Kliewer, S.A, Milburn, M.V.
登録日1999-03-17
公開日2000-03-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular recognition of fatty acids by peroxisome proliferator-activated receptors.
Mol.Cell, 3, 1999
6IFR
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BU of 6ifr by Molmil
Type III-A Csm complex, Cryo-EM structure of Csm-NTR, ATP bound
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Type III-A CRISPR-associated RAMP protein Csm3, ...
著者You, L, Ma, J, Wang, J, Zhang, X, Wang, Y.
登録日2018-09-21
公開日2018-12-12
最終更新日2019-01-23
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference
Cell, 176, 2019
3HV4
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BU of 3hv4 by Molmil
Human p38 MAP Kinase in Complex with RL51
分子名称: 1-{3-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, ...
著者Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日2009-06-15
公開日2009-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Displacement assay for the detection of stabilizers of inactive kinase conformations.
J.Med.Chem., 53, 2010
1FM6
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BU of 1fm6 by Molmil
THE 2.1 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF THE HETERODIMER OF THE HUMAN RXRALPHA AND PPARGAMMA LIGAND BINDING DOMAINS RESPECTIVELY BOUND WITH 9-CIS RETINOIC ACID AND ROSIGLITAZONE AND CO-ACTIVATOR PEPTIDES.
分子名称: (9cis)-retinoic acid, 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), ...
著者Gampe Jr, R.T, Montana, V.G, Lambert, M.H, Miller, A.B, Bledsoe, R.K, Milburn, M.V, Kliewer, S.A, Willson, T.M, Xu, H.E.
登録日2000-08-16
公開日2001-02-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Asymmetry in the PPARgamma/RXRalpha crystal structure reveals the molecular basis of heterodimerization among nuclear receptors.
Mol.Cell, 5, 2000
4K4J
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BU of 4k4j by Molmil
Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 9cUAB30 and the coactivator peptide GRIP-1
分子名称: (2E,4E,6Z,8E)-8-(3,4-dihydronaphthalen-1(2H)-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid, Nuclear receptor coactivator 2 peptide, Retinoic acid receptor RXR-alpha
著者Xia, G, Smith, C.D, Muccio, D.D.
登録日2013-04-12
公開日2013-11-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Defining the Communication between Agonist and Coactivator Binding in the Retinoid X Receptor alpha Ligand Binding Domain.
J.Biol.Chem., 289, 2014
6IFK
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BU of 6ifk by Molmil
Cryo-EM structure of type III-A Csm-CTR1 complex, AMPPNP bound
分子名称: CTR1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者You, L, Ma, J, Wang, J, Zhang, X, Wang, Y.
登録日2018-09-20
公開日2018-12-12
最終更新日2019-01-23
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference
Cell, 176, 2019
1ZYJ
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BU of 1zyj by Molmil
Human P38 MAP Kinase in Complex with Inhibitor 1a
分子名称: 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Karpusas, M, Michelotti, E.L, Springman, E.B.
登録日2005-06-10
公開日2005-11-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Two classes of p38alpha MAP kinase inhibitors having a common diphenylether core but exhibiting divergent binding modes.
Bioorg.Med.Chem.Lett., 15, 2005
1ZZ2
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BU of 1zz2 by Molmil
Two Classes of p38alpha MAP Kinase Inhibitors Having a Common Diphenylether Core but Exhibiting Divergent Binding Modes
分子名称: Mitogen-activated protein kinase 14, N-[3-(4-FLUOROPHENOXY)PHENYL]-4-[(2-HYDROXYBENZYL)AMINO]PIPERIDINE-1-SULFONAMIDE, octyl beta-D-glucopyranoside
著者Michelotti, E.L, Moffett, K.K, Springman, E.B, Karpusas, M.
登録日2005-06-13
公開日2005-10-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Two classes of p38alpha MAP kinase inhibitors having a common diphenylether core but exhibiting divergent binding modes.
Bioorg.Med.Chem.Lett., 15, 2005
3HUB
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BU of 3hub by Molmil
Human p38 MAP Kinase in Complex with Scios-469
分子名称: 2-(6-chloro-5-{[(2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl]carbonyl}-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Rauh, D.
登録日2009-06-13
公開日2010-03-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Fluorophore labeling of the glycine-rich loop as a method of identifying inhibitors that bind to active and inactive kinase conformations.
J.Am.Chem.Soc., 132, 2010
6IG0
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BU of 6ig0 by Molmil
Type III-A Csm complex, Cryo-EM structure of Csm-CTR1, ATP bound
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CTR1, MAGNESIUM ION, ...
著者You, L, Ma, J, Wang, J, Zhang, X, Wang, Y.
登録日2018-09-21
公開日2018-12-12
最終更新日2019-01-23
実験手法ELECTRON MICROSCOPY (3.37 Å)
主引用文献Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference
Cell, 176, 2019
1FCX
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BU of 1fcx by Molmil
ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE RARGAMMA-SELECTIVE RETINOID BMS184394
分子名称: 6-[HYDROXY-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALEN-2-YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID, DODECYL-ALPHA-D-MALTOSIDE, RETINOIC ACID RECEPTOR GAMMA-1
著者Klaholz, B.P, Mitschler, A, Moras, D, Structural Proteomics in Europe (SPINE)
登録日2000-07-19
公開日2000-09-11
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Structural basis for isotype selectivity of the human retinoic acid nuclear receptor.
J.Mol.Biol., 302, 2000
3HVC
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BU of 3hvc by Molmil
Crystal structure of human p38alpha MAP kinase
分子名称: 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, Mitogen-activated protein kinase 14
著者Perry, J.J, Tainer, J.A.
登録日2009-06-15
公開日2009-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献p38alpha MAP kinase C-terminal domain binding pocket characterized by crystallographic and computational analyses.
J.Mol.Biol., 391, 2009
3QHS
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BU of 3qhs by Molmil
Crystal structure of full-length Hfq from Escherichia coli
分子名称: Protein hfq
著者Beich-Frandsen, M, Vecerek, B, Sjoeblom, B, Blaesi, U, Djinovic-Carugo, K.
登録日2011-01-26
公開日2011-05-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural analysis of full-length Hfq from Escherichia coli
Acta Crystallogr.,Sect.F, 67, 2011
5FM7
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BU of 5fm7 by Molmil
Double-heterohexameric rings of full-length Rvb1(ADP)Rvb2(ADP)
分子名称: ADENOSINE-5'-DIPHOSPHATE, RVB1, RVB2
著者Silva-Martin, N, Dauden, M.I, Glatt, S, Hoffmann, N.A, Mueller, C.W.
登録日2015-11-02
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.901 Å)
主引用文献The Combination of X-Ray Crystallography and Cryo-Electron Microscopy Provides Insight Into the Overall Architecture of the Dodecameric Rvb1/Rvb2 Complex.
Plos One, 11, 2016
1ILG
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BU of 1ilg by Molmil
Crystal Structure of Apo Human Pregnane X Receptor Ligand Binding Domain
分子名称: ORPHAN NUCLEAR RECEPTOR PXR
著者Watkins, R.E, Redinbo, M.R.
登録日2001-05-08
公開日2001-06-27
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献The human nuclear xenobiotic receptor PXR: structural determinants of directed promiscuity.
Science, 292, 2001
3HP2
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BU of 3hp2 by Molmil
Crystal Structure of Human p38alpha complexed with a pyridinone compound
分子名称: 1-benzyl-4-(benzyloxy)-3-bromopyridin-2(1H)-one, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14
著者Shieh, H.-S, Williams, J.M, Stegeman, R.A, Kurumbail, R.G.
登録日2009-06-03
公開日2009-09-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of N-substituted pyridinones as potent and selective inhibitors of p38 kinase.
Bioorg.Med.Chem.Lett., 19, 2009
3HPI
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BU of 3hpi by Molmil
Crystal structure of maltose-binding protein mutant with bound sucrose
分子名称: ACETATE ION, Maltose-binding periplasmic protein, ZINC ION, ...
著者Gould, A.D, Shilton, B.H.
登録日2009-06-04
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Studies of the maltose transport system reveal a mechanism for coupling ATP hydrolysis to substrate translocation without direct recognition of substrate.
J.Biol.Chem., 285, 2010
4TT4
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BU of 4tt4 by Molmil
Crystal structure of ATAD2A bromodomain complexed with H3(1-21)K14Ac peptide
分子名称: ATPase family AAA domain-containing protein 2, CHLORIDE ION, Histone H3(1-21)K4Ac, ...
著者Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J.
登録日2014-06-19
公開日2014-12-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
3UVR
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BU of 3uvr by Molmil
Human p38 MAP Kinase in Complex with KM064
分子名称: 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{3-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Richters, A, Mayer-Wrangowski, S.C, Gruetter, C, Rauh, D.
登録日2011-11-30
公開日2012-12-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献

4JYI
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BU of 4jyi by Molmil
Crystal structure of RARbeta LBD in complex with selective partial agonist BMS641 [3-chloro-4-[(E)-2-(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)ethenyl]benzoic acid]
分子名称: 3-chloro-4-[(E)-2-(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)ethenyl]benzoic acid, CITRATE ANION, Nuclear receptor coactivator 1, ...
著者Nadendla, E.K, Teyssier, C, Germain, P, Delfosse, V, Bourguet, W.
登録日2013-03-29
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献An Unexpected Mode Of Binding Defines BMS948 as A Full Retinoic Acid Receptor beta (RAR beta , NR1B2) Selective Agonist.
Plos One, 10, 2015
6GJD
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BU of 6gjd by Molmil
Erk2 signalling protein
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, Mitogen-activated protein kinase 1, ...
著者O'Reilly, M.
登録日2018-05-16
公開日2019-01-02
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Quantitation of ERK1/2 inhibitor cellular target occupancies with a reversible slow off-rate probe.
Chem Sci, 9, 2018
1H9U
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BU of 1h9u by Molmil
The structure of the human retinoid-X-receptor beta ligand binding domain in complex with the specific synthetic agonist LG100268
分子名称: 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-3-CARBOXYLIC ACID, CHLORIDE ION, NICKEL (II) ION, ...
著者Schwabe, J.W.R, Love, J.D, Gooch, J.T.
登録日2001-03-21
公開日2002-04-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The Structural Basis for the Specificity of Retinoid-X Receptor-Selective Agonists: New Insights Into the Role of Helix H12
J.Biol.Chem., 277, 2002
1YWR
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Crystal Structure Analysis of inactive P38 kinase domain in complex with a Monocyclic Pyrazolone Inhibitor
分子名称: 4-(4-FLUOROPHENYL)-1-METHYL-5-(2-{[(1S)-1-PHENYLETHYL]AMINO}PYRIMIDIN-4-YL)-2-PIPERIDIN-4-YL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE, Mitogen-activated protein kinase 14
著者Golebiowski, A, Townes, J.A, Laufersweiler, M.J, Brugel, T.A, Clark, M.P, Clark, C.M, Djung, J.F, Laughlin, S.K, Sabat, M.P, Bookland, R.G, Vanrens, J.C, De, B, Hsieh, L.C, Janusz, M.J, Walter, R.L, Webster, M.E, Mekel, M.J.
登録日2005-02-18
公開日2005-05-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The development of monocyclic pyrazolone based cytokine synthesis inhibitors.
Bioorg.Med.Chem.Lett., 15, 2005
4TMP
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BU of 4tmp by Molmil
Crystal structure of AF9 YEATS bound to H3K9ac peptide
分子名称: 1,2-ETHANEDIOL, ALA-ARG-THR-LYS-GLN-THR-ALA-ARG-ALY-SER-THR, Protein AF-9
著者Li, H, Li, Y, Wang, H, Ren, Y.
登録日2014-06-02
公開日2014-11-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献AF9 YEATS Domain Links Histone Acetylation to DOT1L-Mediated H3K79 Methylation.
Cell, 159, 2014

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