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7VWF
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BU of 7vwf by Molmil
Human peroxisome proliferator-activated receptor (PPAR) delta ligand binding domain in complex with a synthetic agonist TIPP204
Descriptor: (2S)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside
Authors:Oyama, T, Miyachi, H.
Deposit date:2021-11-10
Release date:2022-02-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of the ligand-binding domain of human peroxisome proliferator-activated receptor delta in complexes with phenylpropanoic acid derivatives and a pyridine carboxylic acid derivative.
Acta Crystallogr.,Sect.F, 78, 2022
7VWE
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BU of 7vwe by Molmil
Human peroxisome proliferator-activated receptor (PPAR) delta ligand binding domain in complex with a synthetic partial agonist JK122
Descriptor: 5-[4-butoxy-3-[[[2-fluoranyl-4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]-4,6-dimethyl-pyridine-3-carboxylic acid, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside
Authors:Oyama, T, Miyachi, H.
Deposit date:2021-11-10
Release date:2022-02-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of the ligand-binding domain of human peroxisome proliferator-activated receptor delta in complexes with phenylpropanoic acid derivatives and a pyridine carboxylic acid derivative.
Acta Crystallogr.,Sect.F, 78, 2022
7VWG
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BU of 7vwg by Molmil
Human peroxisome proliferator-activated receptor (PPAR) delta ligand binding domain in complex with a synthetic alpha/delta dual agonist JKPL38
Descriptor: (2S)-2-[[4-propoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside
Authors:Oyama, T, Miyachi, H.
Deposit date:2021-11-10
Release date:2022-02-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of the ligand-binding domain of human peroxisome proliferator-activated receptor delta in complexes with phenylpropanoic acid derivatives and a pyridine carboxylic acid derivative.
Acta Crystallogr.,Sect.F, 78, 2022
4H4O
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BU of 4h4o by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (RT) in Complex with (E)-3-(3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)- 4-fluorophenoxy)-5-fluorophenyl)acrylonitrile (JLJ506), A Non-nucleoside inhibitor
Descriptor: (2E)-3-(3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-5-fluorophenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, Exoribonuclease H, ...
Authors:Frey, K.M, Anderson, K.S.
Deposit date:2012-09-17
Release date:2012-12-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structures of HIV-1 Reverse Transcriptase with Picomolar Inhibitors Reveal Key Interactions for Drug Design.
J.Am.Chem.Soc., 134, 2012
7VWH
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BU of 7vwh by Molmil
human peroxisome proliferator-activated receptor (PPAR) delta ligand binding domain in complex with a synthetic agonist JKPL39
Descriptor: (2S)-2-[[4-hexoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside
Authors:Oyama, T, Miyachi, H.
Deposit date:2021-11-10
Release date:2022-02-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of the ligand-binding domain of human peroxisome proliferator-activated receptor delta in complexes with phenylpropanoic acid derivatives and a pyridine carboxylic acid derivative.
Acta Crystallogr.,Sect.F, 78, 2022
2LQ8
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BU of 2lq8 by Molmil
Domain interaction in Thermotoga maritima NusG
Descriptor: Transcription antitermination protein nusG
Authors:Droegemueller, J, Stegmann, C, Burmann, B, Roesch, P, Wahl, M.C, Schweimer, K.
Deposit date:2012-02-27
Release date:2013-01-23
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:An Autoinhibited State in the Structure of Thermotoga maritima NusG.
Structure, 21, 2013
1HQU
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BU of 1hqu by Molmil
HUMAN IMMUNODEFICIENCY VIRUS TYPE 1
Descriptor: (S)-4-ISOPROPOXYCARBONYL-6-METHOXY-3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-2(1H)-THIONE, POL POLYPROTEIN
Authors:Hsiou, Y, Ding, J, Arnold, E.
Deposit date:2000-12-19
Release date:2001-05-30
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Lys103Asn mutation of HIV-1 RT: a novel mechanism of drug resistance.
J.Mol.Biol., 309, 2001
7VQP
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BU of 7vqp by Molmil
Vitamin D receptor complexed with a lithocholic acid derivative
Descriptor: 3-((R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-(2-hydroxy-2-methylpropyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)propanoic acid, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
Authors:Kato, K, Numoto, N, Kagechika, H, Tanatani, A, Ito, N.
Deposit date:2021-10-20
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Lithocholic Acid Amides as Potent Vitamin D Receptor Agonists.
Biomolecules, 12, 2022
7VUE
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BU of 7vue by Molmil
Structural insight of the molecular mechanism of cilofexor bound to FXR
Descriptor: 2-[3-[4-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-2-chloranyl-phenyl]-3-oxidanyl-azetidin-1-yl]pyridine-4-carboxylic acid, Bile acid receptor, Peptide from Nuclear receptor coactivator 2
Authors:Jiang, L, Chen, Y.C.
Deposit date:2021-11-02
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Structural insight into the molecular mechanism of cilofexor binding to the farnesoid X receptor.
Biochem.Biophys.Res.Commun., 595, 2022
2L2O
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BU of 2l2o by Molmil
Solution structure of human HSPC280 protein
Descriptor: UPF0727 protein C6orf115
Authors:Lin, J, Wang, J.
Deposit date:2010-08-24
Release date:2011-07-06
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of the human HSPC280 protein
Protein Sci., 20, 2011
8R60
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BU of 8r60 by Molmil
1918 H1N1 Viral polymerase heterotrimer in complex with 4 repeat serine-5 phosphorylated PolII peptide
Descriptor: Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(P*AP*GP*UP*AP*GP*AP*AP*AP*CP*AP*AP*GP*GP*CP*C)-3'), ...
Authors:Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M.
Deposit date:2023-11-19
Release date:2024-03-27
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Structural and functional characterization of the interaction between the influenza A virus RNA polymerase and the CTD of host RNA polymerase II.
J.Virol., 98, 2024
4J7N
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BU of 4j7n by Molmil
Crystal structure of mouse DXO in complex with M7GPPPG cap
Descriptor: 1,2-ETHANEDIOL, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, 9-METHYLGUANINE, ...
Authors:Kilic, T, Chang, J.H, Tong, L.
Deposit date:2013-02-13
Release date:2013-03-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A mammalian pre-mRNA 5' end capping quality control mechanism and an unexpected link of capping to pre-mRNA processing.
Mol.Cell, 50, 2013
1EIZ
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BU of 1eiz by Molmil
FTSJ RNA METHYLTRANSFERASE COMPLEXED WITH S-ADENOSYLMETHIONINE
Descriptor: FTSJ, S-ADENOSYLMETHIONINE
Authors:Bugl, H, Fauman, E.B, Staker, B.L, Zheng, F, Kushner, S.R, Saper, M.A, Bardwell, J.C.A, Jakob, U.
Deposit date:2000-02-29
Release date:2000-08-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:RNA methylation under heat shock control.
Mol.Cell, 6, 2000
6TDC
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BU of 6tdc by Molmil
PPAR gamma ligand binding domain in complex with MRL-871
Descriptor: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid, GLYCEROL, Peroxisome proliferator-activated receptor gamma
Authors:de Vries, R.M.J.M, Leijten-van de Gevel, I.A, van Herk, K.H.N, Brunsveld, L.
Deposit date:2019-11-08
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.328 Å)
Cite:Binding of PPAR(gamma) to MRL871
To Be Published
6T4K
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BU of 6t4k by Molmil
ROR(gamma)t ligand binding domain in complex with desmosterol and allosteric ligand MRL871
Descriptor: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid, GLYCEROL, Nuclear receptor ROR-gamma, ...
Authors:de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
Deposit date:2019-10-14
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t.
Proc.Natl.Acad.Sci.USA, 118, 2021
6T4W
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BU of 6t4w by Molmil
ROR(gamma)t ligand binding domain in complex with 20-alpha-hydroxycholesterol and allosteric ligand Glenmark
Descriptor: (3alpha,8alpha)-cholest-5-ene-3,20-diol, 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid, GLYCEROL, ...
Authors:de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
Deposit date:2019-10-15
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t.
Proc.Natl.Acad.Sci.USA, 118, 2021
6T4J
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BU of 6t4j by Molmil
ROR(gamma)t ligand binding domain in complex with desmosterol and allosteric ligand FM26
Descriptor: 4-[(~{E})-[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methylideneamino]benzoic acid, GLYCEROL, Nuclear receptor ROR-gamma, ...
Authors:de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
Deposit date:2019-10-14
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t.
Proc.Natl.Acad.Sci.USA, 118, 2021
6T4X
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BU of 6t4x by Molmil
ROR(gamma)t ligand binding domain in complex with 25-hydroxycholesterol and allosteric ligand FM26
Descriptor: 25-HYDROXYCHOLESTEROL, 4-[(~{E})-[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methylideneamino]benzoic acid, GLYCEROL, ...
Authors:de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
Deposit date:2019-10-15
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t.
Proc.Natl.Acad.Sci.USA, 118, 2021
4HTT
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BU of 4htt by Molmil
Crystal Structure of Twin Arginine Translocase Receptor- TatC in DDM
Descriptor: Sec-independent protein translocase protein TatC, Lysozyme
Authors:Ramasamy, S, Suloway, C.J.M, Clemons Jr, W.M.
Deposit date:2012-11-01
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (6.8 Å)
Cite:The Glove-like Structure of the Conserved Membrane Protein TatC Provides Insight into Signal Sequence Recognition in Twin-Arginine Translocation.
Structure, 21, 2013
6T4Y
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BU of 6t4y by Molmil
ROR(gamma)t ligand binding domain in complex with 25-hydroxycholesterol and allosteric ligand MRL871
Descriptor: 25-HYDROXYCHOLESTEROL, 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid, GLYCEROL, ...
Authors:de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
Deposit date:2019-10-15
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t.
Proc.Natl.Acad.Sci.USA, 118, 2021
6TLQ
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BU of 6tlq by Molmil
ROR(gamma)t ligand binding domain in complex with cholesterol and allosteric ligand Glenmark
Descriptor: 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid, CHOLESTEROL, GLYCEROL, ...
Authors:de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
Deposit date:2019-12-03
Release date:2020-12-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.761 Å)
Cite:Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t.
Proc.Natl.Acad.Sci.USA, 118, 2021
4I22
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BU of 4i22 by Molmil
Structure of the monomeric (V948R)gefitinib/erlotinib resistant double mutant (L858R+T790M) EGFR kinase domain co-crystallized with gefitinib
Descriptor: Epidermal growth factor receptor, Gefitinib, SULFATE ION
Authors:Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A.
Deposit date:2012-11-21
Release date:2013-01-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
6T4G
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BU of 6t4g by Molmil
ROR(gamma)t ligand binding domain in complex with cholesterol and allosteric ligand FM26
Descriptor: 4-[(~{E})-[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methylideneamino]benzoic acid, CHOLESTEROL, GLYCEROL, ...
Authors:de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
Deposit date:2019-10-14
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t.
Proc.Natl.Acad.Sci.USA, 118, 2021
1FSI
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BU of 1fsi by Molmil
CRYSTAL STRUCTURE OF CYCLIC NUCLEOTIDE PHOSPHODIESTERASE OF APPR>P FROM ARABIDOPSIS THALIANA
Descriptor: CYCLIC PHOSPHODIESTERASE, SULFATE ION
Authors:Hofmann, A, Zdanov, A, Genschik, P, Filipowicz, W, Ruvinov, S, Wlodawer, A.
Deposit date:2000-09-10
Release date:2000-11-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and mechanism of activity of the cyclic phosphodiesterase of Appr>p, a product of the tRNA splicing reaction.
EMBO J., 19, 2000
6GC6
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BU of 6gc6 by Molmil
50S ribosomal subunit assembly intermediate state 2
Descriptor: 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Nikolay, R, Hilal, T, Qin, B, Loerke, J, Buerger, J, Mielke, T, Spahn, C.M.T.
Deposit date:2018-04-17
Release date:2018-07-04
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structural Visualization of the Formation and Activation of the 50S Ribosomal Subunit during In Vitro Reconstitution.
Mol. Cell, 70, 2018

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数据于2024-10-16公开中

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