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2XYX
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BU of 2xyx by Molmil
Novel Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (PPAR) gamma-delta Agonists with High Potency and In-vivo Efficacy
Descriptor: 4-[2-[[3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]AMINO]ETHYL]-N-(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)BENZENESULFONAMIDE, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR DELTA, octyl beta-D-glucopyranoside
Authors:Marquette, J.-P, Mathieu, M.
Deposit date:2010-11-19
Release date:2011-02-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (Ppar) Gamma / Delta Agonists with High Potency and in-Vivo Efficacy
Chemmedchem, 6, 2011
7NJ0
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CryoEM structure of the human Separase-Cdk1-cyclin B1-Cks1 complex
Descriptor: Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 1, G2/mitotic-specific cyclin-B1,G2/mitotic-specific cyclin-B1, ...
Authors:Yu, J, Raia, P, Ghent, C.M, Raisch, T, Sadian, Y, Barford, D, Raunser, S, Morgan, D.O, Boland, A.
Deposit date:2021-02-14
Release date:2021-08-04
Last modified:2021-08-18
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis of human separase regulation by securin and CDK1-cyclin B1.
Nature, 596, 2021
4FV8
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BU of 4fv8 by Molmil
Crystal Structure of the ERK2 complexed with E63
Descriptor: 1,2-ETHANEDIOL, 6-({4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-5-(phenylamino)pyrimidin-2-yl}amino)-1,2-dihydro-3H-indazol-3-one, Mitogen-activated protein kinase 1, ...
Authors:Kang, Y.N, Stuckey, J.A, Xie, X.
Deposit date:2012-06-29
Release date:2012-08-29
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the ERK2 complexed with E63
TO BE PUBLISHED
4FV5
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BU of 4fv5 by Molmil
Crystal Structure of the ERK2 complexed with EK9
Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, N-[(1S)-2-hydroxy-1-phenylethyl]-4-(5-methyl-2-phenylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide, ...
Authors:Kang, Y.N, Stuckey, J.A, Xie, X.
Deposit date:2012-06-29
Release date:2012-08-29
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of the ERK2 complexed with EK9
TO BE PUBLISHED
5NI7
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BU of 5ni7 by Molmil
Ligand complex of RORg LBD
Descriptor: DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, SODIUM ION, ...
Authors:Xue, Y, Aagaard, A, Narjes, F.
Deposit date:2017-03-23
Release date:2018-08-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design.
J. Med. Chem., 61, 2018
5N9J
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BU of 5n9j by Molmil
Core Mediator of transcriptional regulation
Descriptor: Mediator Complex Subunit 9, Mediator of RNA polymerase II transcription subunit 10, Mediator of RNA polymerase II transcription subunit 11, ...
Authors:Nozawa, K, Schneider, T.R, Cramer, P.
Deposit date:2017-02-25
Release date:2017-05-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Core Mediator structure at 3.4 Angstrom extends model of transcription initiation complex.
Nature, 545, 2017
4FV0
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BU of 4fv0 by Molmil
Crystal Structure of the ERK2 complexed with EK3
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Mitogen-activated protein kinase 1, ...
Authors:Kang, Y.N, Stuckey, J.A, Xie, X.
Deposit date:2012-06-28
Release date:2012-08-22
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the ERK2 complexed with EK3
TO BE PUBLISHED
3FEI
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BU of 3fei by Molmil
Design and biological evaluation of novel, balanced dual PPARa/g agonists
Descriptor: (2S)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid, Peptide motif 5 of Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor alpha
Authors:Benz, J, Grether, U, Gsell, B, Binggeli, A, Hilpert, H, Maerki, H.P, Mohr, P, Ruf, A, Stihle, M, Schlatter, D.
Deposit date:2008-11-30
Release date:2009-10-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design and biological evaluation of novel, balanced dual PPARalpha/gamma agonists
Chemmedchem, 4, 2009
2DJN
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BU of 2djn by Molmil
The solution structure of the homeobox domain of human Homeobox protein DLX-5
Descriptor: Homeobox protein DLX-5
Authors:Sasagawa, A, Ohnishi, S, Tochio, N, Saito, K, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-04-05
Release date:2006-10-05
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The solution structure of the homeobox domain of human Homeobox protein DLX-5
To be Published
3A2I
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BU of 3a2i by Molmil
Crystal structure of the human vitamin D receptor (H305F) ligand binding domain complexed with TEI-9647
Descriptor: (1S,3R,5Z,7E,20S,23S)-1,3-dihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one, Vitamin D3 receptor
Authors:Kakuda, S, Takimoto-Kamimura, M.
Deposit date:2009-05-20
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.27 Å)
Cite:Structural basis of the histidine-mediated vitamin D receptor agonistic and antagonistic mechanisms of (23S)-25-dehydro-1alpha-hydroxyvitamin D(3)-26,23-lactone
Acta Crystallogr.,Sect.D, 66, 2010
3ADW
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BU of 3adw by Molmil
Human PPARgamma ligand-binding domain in complex with 5-methoxy-indole acetate and 15-oxo-eicosatetraenoic acid
Descriptor: (5-methoxy-1H-indol-3-yl)acetic acid, (5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Waku, T, Shiraki, T, Oyama, T, Morikawa, K.
Deposit date:2010-01-29
Release date:2010-12-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:The nuclear receptor PPARgamma individually responds to serotonin- and fatty acid-metabolites
Embo J., 29, 2010
5NMB
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BU of 5nmb by Molmil
Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain
Descriptor: (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-1-[(2~{S},5~{R})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
Authors:Rochel, N, Belorusova, A.Y.
Deposit date:2017-04-05
Release date:2017-05-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain.
Eur J Med Chem, 134, 2017
3AFR
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BU of 3afr by Molmil
Crystal Structure of VDR-LBD/22S-Butyl-1a,24R-dihydroxyvitamin D3 complex
Descriptor: (1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(1R,2S,4R)-2-butyl-4-hydroxy-1,5-dimethylhexyl]-7a-methyloctahydro-4H-inden-4-yli dene}ethylidene]-4-methylidenecyclohexane-1,3-diol, 13-meric peptide from Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
Authors:Inaba, Y, Nakabayashi, M, Itoh, T, Ikura, T, Ito, N, Yamamoto, K.
Deposit date:2010-03-10
Release date:2010-03-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:22S-Butyl-1alpha,24R-dihydroxyvitamin D(3): Recovery of vitamin D receptor agonistic activity
J.Steroid Biochem.Mol.Biol., 121, 2010
3CNV
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BU of 3cnv by Molmil
Crystal structure of the ligand-binding domain of a putative GntR-family transcriptional regulator from Bordetella bronchiseptica
Descriptor: CHLORIDE ION, CITRATE ANION, Putative GntR-family transcriptional regulator
Authors:Zimmerman, M.D, Xu, X, Cui, H, Filippova, E.V, Savchenko, A, Edwards, A.M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-03-26
Release date:2008-04-29
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the ligand-binding domain of a putative GntR-family transcriptional regulator from Bordetella bronchiseptica.
To be Published
8RJC
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BU of 8rjc by Molmil
Structure of the rabbit 80S ribosome stalled on a 2-TMD rhodopsin intermediate in complex with Sec61-TRAP, open conformation 1
Descriptor: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Lewis, A.J.O, Hegde, R.S.
Deposit date:2023-12-20
Release date:2024-01-24
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (2.90061 Å)
Cite:Structural analysis of the dynamic ribosome-translocon complex.
Elife, 13, 2024
8RJB
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BU of 8rjb by Molmil
Structure of the rabbit 80S ribosome stalled on a 2-TMD rhodopsin intermediate in complex with Sec61-RAMP4
Descriptor: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Lewis, A.J.O, Hegde, R.S.
Deposit date:2023-12-20
Release date:2024-01-24
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (2.69243 Å)
Cite:Structural analysis of the dynamic ribosome-translocon complex.
Elife, 13, 2024
4FV3
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BU of 4fv3 by Molmil
Crystal Structure of the ERK2 complexed with EK6
Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ...
Authors:Kang, Y.N, Stuckey, J.A, Xie, X.
Deposit date:2012-06-29
Release date:2012-08-29
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the ERK2 complexed with EK6
TO BE PUBLISHED
2XYW
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BU of 2xyw by Molmil
Novel Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (PPAR) gamma-delta Agonists with High Potency and In-vivo Efficacy
Descriptor: 3-CHLORO-6-FLUORO-N-[2-[4-[(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)SULFAMOYL]PHENYL]ETHYL]-1-BENZOTHIOPHENE-2-CARBOXAMIDE, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR DELTA, octyl beta-D-glucopyranoside
Authors:Marquette, J.-P, Mathieu, M.
Deposit date:2010-11-19
Release date:2011-02-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (Ppar) Gamma / Delta Agonists with High Potency and in-Vivo Efficacy
Chemmedchem, 6, 2011
5NIB
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BU of 5nib by Molmil
Ligand complex of RORg LBD
Descriptor: DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, SODIUM ION, ...
Authors:Xue, Y, Aagaard, A, Narjes, F.
Deposit date:2017-03-23
Release date:2018-08-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design.
J. Med. Chem., 61, 2018
3D57
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BU of 3d57 by Molmil
TR Variant D355R
Descriptor: SULFATE ION, Thyroid hormone receptor beta, [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID
Authors:Jouravel, N.
Deposit date:2008-05-15
Release date:2008-10-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular basis for dimer formation of TRbeta variant D355R.
Proteins, 75, 2008
8P03
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BU of 8p03 by Molmil
48S late-stage initiation complex with m6A mRNA
Descriptor: 18S ribosomal RNA, 40S ribosomal protein S11, 40S ribosomal protein S12, ...
Authors:Guca, E, Lima, L.H.F, Boissier, F, Hashem, Y.
Deposit date:2023-05-09
Release date:2024-03-20
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:N 6 -methyladenosine in 5' UTR does not promote translation initiation.
Mol.Cell, 84, 2024
8P09
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BU of 8p09 by Molmil
48S late-stage initiation complex with non methylated mRNA
Descriptor: 18S ribosomal RNA, 40S ribosomal protein S11, 40S ribosomal protein S12, ...
Authors:Guca, E, Lima, L.H.F, Boissier, F, Hashem, Y.
Deposit date:2023-05-09
Release date:2024-03-20
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:N 6 -methyladenosine in 5' UTR does not promote translation initiation.
Mol.Cell, 84, 2024
4YZ6
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Crystal Structure of Myc3[44-238] from Arabidopsis in complex with Jaz1 peptide [200-221]
Descriptor: Protein TIFY 10A, Transcription factor MYC3
Authors:Ke, J, Zhang, F, Brunzelle, J, Xu, H.E, Melcher, K, HE, S.Y.
Deposit date:2015-03-24
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis of JAZ repression of MYC transcription factors in jasmonate signalling.
Nature, 525, 2015
4FV6
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Crystal Structure of the ERK2 complexed with E57
Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(2-{[(2S)-1-hydroxybutan-2-yl]amino}-5-methylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide, ...
Authors:Kang, Y.N, Stuckey, J.A, Xie, X.
Deposit date:2012-06-29
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of the ERK2 complexed with E57
TO BE PUBLISHED
3CS6
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BU of 3cs6 by Molmil
Structure-based design of a superagonist ligand for the vitamin D nuclear receptor
Descriptor: (1S,3R,5Z,7E,14beta,17alpha,23R)-23-(2-hydroxy-2-methylpropyl)-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol, Vitamin D3 receptor
Authors:Hourai, S, Rodriguez, L.C, Antony, P, Reina-San-Martin, B, Ciesielski, P, Magnier, B.C, Schoonjans, K, Mourino, A, Rochel, N, Moras, D.
Deposit date:2008-04-09
Release date:2008-05-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based design of a superagonist ligand for the vitamin d nuclear receptor.
Chem.Biol., 15, 2008

225946

數據於2024-10-09公開中

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