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1W84
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BU of 1w84 by Molmil
p38 Kinase crystal structure in complex with small molecule inhibitor
Descriptor: 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE, MITOGEN-ACTIVATED PROTEIN KINASE 14
Authors:Tickle, J, Jhoti, H, Cleasby, A, Devine, L.
Deposit date:2004-09-16
Release date:2005-02-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identification of novel p38alpha MAP kinase inhibitors using fragment-based lead generation.
J. Med. Chem., 48, 2005
3L0L
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BU of 3l0l by Molmil
Crystal structure of orphan nuclear receptor RORgamma in complex with natural ligand
Descriptor: 25-HYDROXYCHOLESTEROL, Nuclear receptor ROR-gamma, SCR2-2
Authors:Martynowski, D, Li, Y.
Deposit date:2009-12-10
Release date:2010-03-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural basis for hydroxycholesterols as natural ligands of orphan nuclear receptor RORgamma.
Mol.Endocrinol., 24, 2010
3KPZ
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BU of 3kpz by Molmil
Crystal structure of a novel vitamin D3 analogue, ZK203278 showing dissociated profile
Descriptor: (1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(1R,5S)-5-hydroxy-1-methyl-5-(1,3-thiazol-2-yl)pentyl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylidenecyclohexane-1,3-diol, Vitamin D3 receptor
Authors:Rochel, N, Moras, D.
Deposit date:2009-11-17
Release date:2011-10-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a vitamin D3 analog, ZK203278, showing dissociated profile.
Anticancer Res., 32, 2012
3KMZ
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BU of 3kmz by Molmil
Crystal structure of RARalpha ligand binding domain in complex with the inverse agonist BMS493 and a corepressor fragment
Descriptor: 4-{(E)-2-[5,5-dimethyl-8-(phenylethynyl)-5,6-dihydronaphthalen-2-yl]ethenyl}benzoic acid, GLYCEROL, Nuclear receptor corepressor 1, ...
Authors:Bourguet, W, le Maire, A.
Deposit date:2009-11-11
Release date:2010-06-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A unique secondary-structure switch controls constitutive gene repression by retinoic acid receptor.
Nat.Struct.Mol.Biol., 17, 2010
2QKO
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BU of 2qko by Molmil
Crystal structure of transcriptional regulator RHA06399 from Rhodococcus sp. RHA1
Descriptor: Possible transcriptional regulator, TetR family protein
Authors:Chang, C, Xu, X, Zheng, H, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-07-11
Release date:2007-07-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of tetR family protein.
To be Published
3KOJ
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BU of 3koj by Molmil
Crystal structure of the SSB domain of Q5N255_SYNP6 protein from Synechococcus sp. Northeast Structural Genomics Consortium Target SnR59a.
Descriptor: uncharacterized protein ycf41
Authors:Vorobiev, S, Su, M, Seetharaman, J, Wang, H, Foote, L.E, Ciccosanti, C, Janjua, H, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-11-13
Release date:2009-11-24
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (1.895 Å)
Cite:Crystal structure of the SSB domain of Q5N255_SYNP6 protein from Synechococcus sp.
To be Published
3KQ7
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BU of 3kq7 by Molmil
Structure of human p38alpha with N-[4-methyl-3-(6-{[2-(1-methylpyrrolidin-2-yl)ethyl]amino}pyridine-3-amido)phenyl]-2-(morpholin-4-yl)pyridine-4-carboxamide
Descriptor: ACETATE ION, Mitogen-activated protein kinase p38 alpha, N-(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)-6-({2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}amino)py ridine-3-carboxamide
Authors:Cheng, R.K.Y, Barker, J, Whittaker, M.
Deposit date:2009-11-17
Release date:2009-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of human p38alpha with N-[4-methyl-3-(6-{[2-(1-methylpyrrolidin-2-yl)ethyl]amino}pyridine-3-amido)phenyl]-2-(morpholin-4-yl)pyridine-4-carboxamide
TO BE PUBLISHED
4W1U
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BU of 4w1u by Molmil
Crystal structure of Rv3557c/KstR2, a transcriptional repressor involved in cholesterol metabolism in Mycobacterium tuberculosis
Descriptor: HTH-type transcriptional repressor KstR2
Authors:Dawes, S.S, Kendall, S.K, Baker, E.N, Lott, J.S.
Deposit date:2014-08-13
Release date:2015-07-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.875 Å)
Cite:Crystal structure of Rv3557c/KstR2, a transcriptional repressor involved in cholesterol metabolism in Mycobacterium tuberculosis.
To Be Published
2R4G
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BU of 2r4g by Molmil
The high resolution structure of the RNA-binding domain of telomerase
Descriptor: BROMIDE ION, Telomerase reverse transcriptase
Authors:Rouda, S, Skordalakes, E.
Deposit date:2007-08-31
Release date:2007-11-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structure of the RNA-Binding Domain of Telomerase: Implications for RNA Recognition and Binding.
Structure, 15, 2007
2QNV
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BU of 2qnv by Molmil
Crystal Structure of the Pregnane X Receptor bound to Colupulone
Descriptor: 3,5-dihydroxy-4,6,6-tris(3-methylbut-2-en-1-yl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one, Orphan nuclear receptor PXR
Authors:Teotico, D.G, Bischof, J, Redinbo, M.R.
Deposit date:2007-07-19
Release date:2008-07-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of the Pregnane X Receptor bound to Colupulone
TO BE PUBLISHED
4V8Y
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BU of 4v8y by Molmil
Cryo-EM reconstruction of the 80S-eIF5B-Met-itRNAMet Eukaryotic Translation Initiation Complex
Descriptor: 18S RIBOSOMAL RNA, 25S RIBOSOMAL RNA, 40S RIBOSOMAL PROTEIN S0-A, ...
Authors:Fernandez, I.S, Bai, X.C, Hussain, T, Kelley, A.C, Lorsch, J.R, Ramakrishnan, V, Scheres, S.H.W.
Deposit date:2013-07-20
Release date:2014-07-09
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Molecular architecture of a eukaryotic translational initiation complex.
Science, 342, 2013
4V90
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BU of 4v90 by Molmil
Thermus thermophilus Ribosome
Descriptor: 16S RIBOSOMAL RNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
Authors:Chen, Y, Feng, S, Kumar, V, Ero, R, Gao, Y.G.
Deposit date:2014-02-22
Release date:2014-07-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structure of EF-G-ribosome complex in a pretranslocation state.
Nat. Struct. Mol. Biol., 20, 2013
3BQO
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BU of 3bqo by Molmil
Crystal Structure of TRF1 TRFH domain and TIN2 peptide complex
Descriptor: TERF1-interacting nuclear factor 2, Telomeric repeat-binding factor 1
Authors:Chen, Y, Yang, Y, van Overbeek, M, Donigian, J.R, Baciu, P, de Lange, T, Lei, M.
Deposit date:2007-12-20
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:A shared docking motif in TRF1 and TRF2 used for differential recruitment of telomeric proteins.
Science, 319, 2008
3BV2
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BU of 3bv2 by Molmil
Morpholino pyrrolotriazine P38 Alpha map kinase inhibitor compound 30
Descriptor: 5-methyl-4-[(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)amino]-N-(1-phenylethenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14
Authors:Sack, J.S.
Deposit date:2008-01-04
Release date:2008-04-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Synthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38 alpha MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
4V5R
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BU of 4v5r by Molmil
The crystal structure of EF-Tu and Trp-tRNA-Trp bound to a cognate codon on the 70S ribosome.
Descriptor: 16S RRNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
Authors:Schmeing, T.M, Voorhees, R.M, Ramakrishnan, V.
Deposit date:2010-12-07
Release date:2014-07-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:How Mutations in tRNA Distant from the Anticodon Affect the Fidelity of Decoding.
Nat.Struct.Mol.Biol., 18, 2011
4V8U
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BU of 4v8u by Molmil
Crystal Structure of 70S Ribosome with Both Cognate tRNAs in the E and P Sites Representing an Authentic Elongation Complex.
Descriptor: 16S RIBOSOMAL RNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
Authors:Gao, Y.G, Feng, S, Chen, Y.
Deposit date:2012-08-28
Release date:2014-07-09
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Crystal structure of 70S ribosome with both cognate tRNAs in the E and P sites representing an authentic elongation complex.
PLoS ONE, 8, 2013
3BV3
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BU of 3bv3 by Molmil
Morpholino pyrrolotriazine P38 Alpha Map Kinase inhibitor compound 2
Descriptor: 5-methyl-4-[(2-methyl-5-{[(3-morpholin-4-ylphenyl)carbonyl]amino}phenyl)amino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14
Authors:Sack, J.S.
Deposit date:2008-01-04
Release date:2008-04-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Synthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38 alpha MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
4V5S
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BU of 4v5s by Molmil
The crystal structure of EF-Tu and G24A-tRNA-Trp bound to a cognate codon on the 70S ribosome.
Descriptor: 16S RRNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
Authors:Schmeing, T.M, Voorhees, R.M, Ramakrishnan, V.
Deposit date:2010-12-07
Release date:2014-07-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:How Mutations in tRNA Distant from the Anticodon Affect the Fidelity of Decoding.
Nat.Struct.Mol.Biol., 18, 2011
3C5D
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BU of 3c5d by Molmil
Crystal structure of HIV-1 subtype F DIS extended duplex RNA bound to lividomycin
Descriptor: 'HIV-1 subtype F genomic RNA, (2R,3S,4S,5S,6R)-2-((2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3S,4R,5S)-5-((1R,2R,3S,5R,6S)-3,5-DIAMINO-2-((2S,3R ,5S,6R)-3-AMINO-5-HYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-4-HYDROXY-2-(HYDROXYMET HYL)-TETRAHYDROFURAN-3-YLOXY)-4-HYDROXY-TETRAHYDRO-2H-PYRAN-3-YLOXY)-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL, POTASSIUM ION
Authors:Freisz, S, Lang, K, Micura, R, Dumas, P, Ennifar, E.
Deposit date:2008-01-31
Release date:2008-05-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding of aminoglycoside antibiotics to the duplex form of the HIV-1 genomic RNA dimerization initiation site.
Angew.Chem.Int.Ed.Engl., 47, 2008
3C7R
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BU of 3c7r by Molmil
Crystal Structure of HIV-1 subtype F DIS extended duplex RNA bound to neomycin
Descriptor: HIV-1 subtype F genomic RNA, NEOMYCIN, POTASSIUM ION
Authors:Freisz, S, Lang, K, Micura, R, Dumas, P, Ennifar, E.
Deposit date:2008-02-08
Release date:2008-05-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Binding of aminoglycoside antibiotics to the duplex form of the HIV-1 genomic RNA dimerization initiation site.
Angew.Chem.Int.Ed.Engl., 47, 2008
3CDP
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BU of 3cdp by Molmil
Crystal structure of PPAR-gamma LBD complexed with a partial agonist, analogue of clofibric acid
Descriptor: (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Mazza, F.
Deposit date:2008-02-27
Release date:2009-01-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Synthesis, biological evaluation and molecular investigation of fluorinated peroxisome proliferator-activated receptors alpha/gamma dual agonists
Bioorg.Med.Chem., 20, 2012
3CDS
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BU of 3cds by Molmil
Crystal structure of the complex between PPAR-gamma and the agonist LT248 (clofibric acid analogue)
Descriptor: (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Mazza, F.
Deposit date:2008-02-27
Release date:2008-12-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal Structure of the Peroxisome Proliferator-Activated Receptor gamma (PPARgamma) Ligand Binding Domain Complexed with a Novel Partial Agonist: A New Region of the Hydrophobic Pocket Could Be Exploited for Drug Design
J.Med.Chem., 51, 2008
5MQF
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BU of 5mqf by Molmil
Cryo-EM structure of a human spliceosome activated for step 2 of splicing (C* complex)
Descriptor: 116 kDa U5 small nuclear ribonucleoprotein component, ATP-dependent RNA helicase DHX8, Cell division cycle 5-like protein, ...
Authors:Bertram, K, Hartmuth, K, Kastner, B.
Deposit date:2016-12-20
Release date:2017-03-22
Last modified:2018-11-21
Method:ELECTRON MICROSCOPY (5.9 Å)
Cite:Cryo-EM structure of a human spliceosome activated for step 2 of splicing.
Nature, 542, 2017
7XP1
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BU of 7xp1 by Molmil
Crystal structure of PmiR from Pseudomonas aeruginosa
Descriptor: ALPHA-METHYLISOCITRIC ACID, GLYCEROL, Probable transcriptional regulator, ...
Authors:Zhang, Y.X, Liang, H.H, Gan, J.H.
Deposit date:2022-05-02
Release date:2023-04-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:PmiR senses 2-methylisocitrate levels to regulate bacterial virulence in Pseudomonas aeruginosa.
Sci Adv, 8, 2022
7XP0
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Crystal structure of PmiR from Pseudomonas aeruginosa
Descriptor: Probable transcriptional regulator, SULFATE ION, ZINC ION
Authors:Zhang, Y.X, Liang, H.H, Gan, J.H.
Deposit date:2022-05-02
Release date:2023-04-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:PmiR senses 2-methylisocitrate levels to regulate bacterial virulence in Pseudomonas aeruginosa.
Sci Adv, 8, 2022

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数据于2024-10-09公开中

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