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6G04
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BU of 6g04 by Molmil
NMR Solution Structure of Yeast TSR2(1-152) in Complex with S26A(100-119)
分子名称: 40S ribosomal protein S26-A, Pre-rRNA-processing protein TSR2
著者Michel, E, Schuetz, S, Damberger, F.F, Allain, F.H.-T, Panse, V.G.
登録日2018-03-16
公開日2018-09-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Molecular basis for disassembly of an importin:ribosomal protein complex by the escortin Tsr2.
Nat Commun, 9, 2018
6G7I
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BU of 6g7i by Molmil
Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: 49-406 fs state structure
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ...
著者Nogly, P, Weinert, T, James, D, Cabajo, S, Ozerov, D, Furrer, A, Gashi, D, Borin, V, Skopintsev, P, Jaeger, K, Nass, K, Bath, P, Bosman, R, Koglin, J, Seaberg, M, Lane, T, Kekilli, D, Bruenle, S, Tanaka, T, Wu, W, Milne, C, White, T, Barty, A, Weierstall, U, Panneels, V, Nango, E, Iwata, S, Hunter, M, Schapiro, I, Schertler, G, Neutze, R, Standfuss, J.
登録日2018-04-06
公開日2018-06-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser.
Science, 361, 2018
6FMY
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IMISX-EP of S-PepTSt
分子名称: (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Di-or tripeptide:H+ symporter, ...
著者Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M.
登録日2018-02-02
公開日2018-09-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献In situ serial crystallography for rapid de novo membrane protein structure determination.
Commun Biol, 1, 2018
4MF0
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BU of 4mf0 by Molmil
ITK kinase domain in complex with benzothiazole inhibitor compound 12a (1S,2S)-2-{4-[(DIMETHYLAMINO)METHYL]PHENYL}-N-[6-(PYRIDIN-3-YL)-1,3-BENZOTHIAZOL-2-YL]CYCLOPROPANECARBOXAMIDE (12a)
分子名称: (1S,2S)-2-{4-[(dimethylamino)methyl]phenyl}-N-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide, Tyrosine-protein kinase ITK/TSK
著者Eigenbrot, C, Shia, S.
登録日2013-08-27
公開日2013-11-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Structure-based design and synthesis of potent benzothiazole inhibitors of interleukin-2 inducible T cell kinase (ITK).
Bioorg.Med.Chem.Lett., 23, 2013
4MF1
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ITK kinase domain in complex with benzothiazole inhibitor 12b (1S,2S)-2-{4-[(DIMETHYLAMINO)METHYL]PHENYL}-N-[6-(1H-PYRAZOL-4-YL)-1,3-BENZOTHIAZOL-2-YL]CYCLOPROPANECARBOXAMIDE
分子名称: (1S,2S)-2-{4-[(dimethylamino)methyl]phenyl}-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide, Tyrosine-protein kinase ITK/TSK
著者Eigenbrot, C, Shia, S.
登録日2013-08-27
公開日2013-11-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.113 Å)
主引用文献Structure-based design and synthesis of potent benzothiazole inhibitors of interleukin-2 inducible T cell kinase (ITK).
Bioorg.Med.Chem.Lett., 23, 2013
6G03
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BU of 6g03 by Molmil
NMR Solution Structure of yeast TSR2(1-152)
分子名称: Pre-rRNA-processing protein TSR2
著者Michel, E, Schuetz, S, Damberger, F.F, Allain, F.H.-T, Panse, V.G.
登録日2018-03-16
公開日2018-09-19
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Molecular basis for disassembly of an importin:ribosomal protein complex by the escortin Tsr2.
Nat Commun, 9, 2018
5LII
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BU of 5lii by Molmil
bacteriophage phi812K1-420 major capsid protein
分子名称: Major capsid protein
著者Novacek, J, Siborova, M, Benesik, M, Pantucek, R, Doskar, J, Plevka, P.
登録日2016-07-14
公開日2017-07-19
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure and genome release of Twort-like Myoviridae phage with a double-layered baseplate.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5LLJ
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BU of 5llj by Molmil
Maedi-Visna virus (MVV) integrase C-terminal domain (residues 220-276)
分子名称: CHLORIDE ION, Integrase
著者Pye, V.E, Maskell, D.P, Cherepanov, P.
登録日2016-07-27
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献A supramolecular assembly mediates lentiviral DNA integration.
Science, 355, 2017
6GO9
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BU of 6go9 by Molmil
Structure of GFPmut2 crystallized at pH 6 and transferred to pH 7
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Green fluorescent protein
著者Lolli, G, Raboni, S, Pasqualetto, E, Campanini, B, Mozzarelli, A, Bettati, S, Battistutta, R.
登録日2018-06-01
公開日2018-12-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.672 Å)
主引用文献Insight into GFPmut2 pH Dependence by Single Crystal Microspectrophotometry and X-ray Crystallography.
J.Phys.Chem.B, 122, 2018
4OKW
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BU of 4okw by Molmil
Crystal structure of W741L-AR-LBD bound with co-regulator peptide
分子名称: Androgen receptor, R-BICALUTAMIDE, co-regulator peptide
著者Liu, J.S, Hsu, C.L, Wu, W.G.
登録日2014-01-23
公開日2014-08-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
4OTI
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BU of 4oti by Molmil
Crystal Structure of PRK1 Catalytic Domain in Complex with Tofacitinib
分子名称: 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, Serine/threonine-protein kinase N1
著者Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B.
登録日2014-02-13
公開日2014-08-27
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes.
Plos One, 9, 2014
6H2I
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BU of 6h2i by Molmil
Structure of BlaC from Mycobacterium tuberculosis bound to the trans-enamine adduct of tazobactam.
分子名称: ACETATE ION, Beta-lactamase, TAZOBACTAM INTERMEDIATE
著者Tassoni, R, Pannu, N.S, Ubbink, M.
登録日2018-07-13
公開日2019-01-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis.
Biochemistry, 58, 2019
2ROX
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BU of 2rox by Molmil
TRANSTHYRETIN (ALSO CALLED PREALBUMIN) COMPLEX WITH THYROXINE (T4)
分子名称: 3,5,3',5'-TETRAIODO-L-THYRONINE, SULFATE ION, TRANSTHYRETIN
著者Wojtczak, A, Cody, V, Luft, J.R, Pangborn, W.
登録日1996-10-23
公開日1997-04-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of human transthyretin complexed with thyroxine at 2.0 A resolution and 3',5'-dinitro-N-acetyl-L-thyronine at 2.2 A resolution.
Acta Crystallogr.,Sect.D, 52, 1996
5LU7
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BU of 5lu7 by Molmil
Heptose isomerase GmhA mutant - D61A
分子名称: 1,2-ETHANEDIOL, 7-O-phosphono-D-glycero-alpha-D-manno-heptopyranose, Phosphoheptose isomerase, ...
著者Vivoli, M, Harmer, N.J, Pang, J.
登録日2016-09-08
公開日2017-12-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献A half-site multimeric enzyme achieves its cooperativity without conformational changes.
Sci Rep, 7, 2017
6FHT
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BU of 6fht by Molmil
Crystal structure of an artificial phytochrome regulated adenylate/guanylate cyclase in its dark adapted Pr form
分子名称: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome,Adenylate cyclase, DODECAETHYLENE GLYCOL, ...
著者Etzl, S, Winkler, A.
登録日2018-01-15
公開日2018-04-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-guided design and functional characterization of an artificial red light-regulated guanylate/adenylate cyclase for optogenetic applications.
J. Biol. Chem., 293, 2018
6FH8
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BU of 6fh8 by Molmil
E. coli surface display of streptavidin for directed evolution of an allylic deallocase
分子名称: Streptavidin, biotinylated ruthenium cyclopentadienide
著者Heinisch, T, Schwizer, F, Garabedian, B, Csibra, E, Jeschek, M, Pinheiro Bernhardes, V, Marliere, P, Panke, S, Ward, T.R.
登録日2018-01-12
公開日2018-08-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献E. colisurface display of streptavidin for directed evolution of an allylic deallylase.
Chem Sci, 9, 2018
5NJ2
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BU of 5nj2 by Molmil
Crystal structure of BlaC from Mycobacterium tuberculosis bound to phosphate
分子名称: 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL, ACETATE ION, ...
著者Tassoni, R, Pannu, N.S, Ubbink, M.
登録日2017-03-27
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Phosphate Promotes the Recovery of Mycobacterium tuberculosis beta-Lactamase from Clavulanic Acid Inhibition.
Biochemistry, 56, 2017
5GTG
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BU of 5gtg by Molmil
Crystal structure of onion lachrymatory factor synthase (LFS) containing 1,2-propanediol
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Lachrymatory-factor synthase, S-1,2-PROPANEDIOL, ...
著者Arakawa, T, Sato, Y, Takabe, J, Masamura, N, Tsuge, N, Imai, S, Fushinobu, S.
登録日2016-08-20
公開日2017-08-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Dissecting the Stereocontrolled Conversion of Short-Lived Sulfenic Acid by Lachrymatory Factor Synthase
Acs Catalysis, 10, 2020
4MT4
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BU of 4mt4 by Molmil
Crystal structure of the Campylobacter jejuni CmeC outer membrane channel
分子名称: (2S)-1-(pentanoyloxy)propan-2-yl hexanoate, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CmeC, ...
著者Su, C.-C, Yu, E.W.
登録日2013-09-19
公開日2014-09-24
最終更新日2014-10-01
実験手法X-RAY DIFFRACTION (2.373 Å)
主引用文献Crystal structure of the Campylobacter jejuni CmeC outer membrane channel.
Protein Sci., 23, 2014
6G7J
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BU of 6g7j by Molmil
Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: 457-646 fs state structure
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ...
著者Nogly, P, Weinert, T, James, D, Cabajo, S, Ozerov, D, Furrer, A, Gashi, D, Borin, V, Skopintsev, P, Jaeger, K, Nass, K, Bath, P, Bosman, R, Koglin, J, Seaberg, M, Lane, T, Kekilli, D, Bruenle, S, Tanaka, T, Wu, W, Milne, C, White, T, Barty, A, Weierstall, U, Panneels, V, Nango, E, Iwata, S, Hunter, M, Schapiro, I, Schertler, G, Neutze, R, Standfuss, J.
登録日2018-04-06
公開日2018-06-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser.
Science, 361, 2018
6FMS
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BU of 6fms by Molmil
IMISX-EP of Se-LspA
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Globomycin, Lipoprotein signal peptidase
著者Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M.
登録日2018-02-02
公開日2018-08-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献In situ serial crystallography for rapid de novo membrane protein structure determination.
Commun Biol, 1, 2018
5NIY
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BU of 5niy by Molmil
Signal recognition particle-docking protein FtsY
分子名称: PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Signal recognition particle-docking protein FtsY
著者Kempf, G, Stjepanovic, G, Lapouge, K, Sinning, I.
登録日2017-03-27
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Escherichia coli SRP Receptor Forms a Homodimer at the Membrane.
Structure, 26, 2018
6FUU
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BU of 6fuu by Molmil
Transcriptional regulator LmrR with bound heme
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Transcriptional regulator PadR family
著者Reddem, E.R, Thunnissen, A.M.W.H.
登録日2018-02-27
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献An Artificial Heme Enzyme for Cyclopropanation Reactions.
Angew. Chem. Int. Ed. Engl., 57, 2018
4OK1
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BU of 4ok1 by Molmil
Crystal structure of W741L-AR-LBD bound with co-regulator peptide
分子名称: Androgen receptor, R-BICALUTAMIDE, co-regulator peptide
著者Liu, J.S, Hsu, C.L, Wu, W.G.
登録日2014-01-21
公開日2014-08-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
5LIJ
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BU of 5lij by Molmil
polyalanine chain built in bacteriophage phi812K1-420 cement protein density map
分子名称: polyalanine chain built in bacteriophage phi812K1-420 cement protein density map
著者Novacek, J, Siborova, M, Benesik, M, Pantucek, R, Doskar, J, Plevka, P.
登録日2016-07-14
公開日2017-07-26
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structure and genome release of Twort-like Myoviridae phage with a double-layered baseplate.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016

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