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3VKA
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Crystal structure of MoeO5 soaked for 3 hours in FsPP
分子名称: (2R)-3-(phosphonooxy)-2-{[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid, MAGNESIUM ION, MoeO5
著者Ren, F, Ko, T.-P, Huang, C.-H, Guo, R.-T.
登録日2011-11-11
公開日2012-05-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Insights into the mechanism of the antibiotic-synthesizing enzyme MoeO5 from crystal structures of different complexes
Angew.Chem.Int.Ed.Engl., 51, 2012
3LPB
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BU of 3lpb by Molmil
Crystal structure of Jak2 complexed with a potent 2,8-diaryl-quinoxaline inhibitor
分子名称: N-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]benzenesulfonamide, Tyrosine-protein kinase JAK2
著者Tavares, G.A, Pissot-Soldermann, C, Gerspacher, M, Furet, P, Kroemer, M.
登録日2010-02-05
公開日2010-04-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery and SAR of potent, orally available 2,8-diaryl-quinoxalines as a new class of JAK2 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
3L9D
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BU of 3l9d by Molmil
The Crystal Structure of smu.1046c from Streptococcus mutans UA159
分子名称: Putative GTP pyrophosphokinase
著者Su, X.-D, Huang, Y.H, Liu, X.
登録日2010-01-05
公開日2011-01-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.484 Å)
主引用文献The Crystal Structure of smu.1046c from Streptococcus mutans UA159
TO BE PUBLISHED
3VA2
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BU of 3va2 by Molmil
Crystal structure of human Interleukin-5 in complex with its alpha receptor
分子名称: Interleukin-5, Interleukin-5 receptor subunit alpha
著者Kusano, S, Kukimoto-Niino, M, Shirouzu, M, Yokoyama, S.
登録日2011-12-28
公開日2012-07-25
実験手法X-RAY DIFFRACTION (2.703 Å)
主引用文献Structural basis of interleukin-5 dimer recognition by its alpha receptor
Protein Sci., 21, 2012
3VHD
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BU of 3vhd by Molmil
Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor, CH5164840
分子名称: 4-amino-18,20-dimethyl-7-thia-3,5,11,15-tetraazatricyclo[15.3.1.1(2,6)]docosa-1(20),2,4,6(22),17(21),18-hexaene-10,16-dione, Heat shock protein HSP 90-alpha
著者Fukami, T.A, Ono, N.
登録日2011-08-24
公開日2012-07-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
3VKB
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BU of 3vkb by Molmil
Crystal structure of MoeO5 soaked with FsPP overnight
分子名称: CHLORIDE ION, MAGNESIUM ION, MoeO5, ...
著者Ren, F, Ko, T.-P, Huang, C.-H, Guo, R.-T.
登録日2011-11-11
公開日2012-05-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Insights into the mechanism of the antibiotic-synthesizing enzyme MoeO5 from crystal structures of different complexes
Angew.Chem.Int.Ed.Engl., 51, 2012
3VF9
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BU of 3vf9 by Molmil
Crystal Structure of Spleen Tyrosine Kinase Syk Catalytic Domain with Thienopyrazolylindole Inhibitor 027
分子名称: 3-{2-[5-(difluoromethyl)-2H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl}pentan-3-ol, Tyrosine-protein kinase SYK
著者McLean, L.R, Zhang, Y.
登録日2012-01-09
公開日2012-05-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3LIC
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BU of 3lic by Molmil
Crystal Structure of the extracellular domain of the putative histidine kinase soHK1S-Z6
分子名称: 1,2-ETHANEDIOL, Sensor protein
著者Zhang, Z, Hendrickson, W.A.
登録日2010-01-24
公開日2010-05-05
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural characterization of the predominant family of histidine kinase sensor domains.
J.Mol.Biol., 400, 2010
3VQ1
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BU of 3vq1 by Molmil
Crystal structure of mouse TLR4/MD-2/lipid IVa complex
分子名称: (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ohto, U, Shimizu, T.
登録日2012-03-17
公開日2012-05-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis of species-specific endotoxin sensing by innate immune receptor TLR4/MD-2
Proc.Natl.Acad.Sci.USA, 109, 2012
3VIB
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BU of 3vib by Molmil
Structural basis for multidrug recognition and antimicrobial resistance by MTRR, an efflux pump regulator from Neisseria Gonorrhoeae
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, MtrR, PHOSPHATE ION
著者Kumaraswami, M, Shafer, W.M, Brennan, R.G.
登録日2011-09-27
公開日2012-10-03
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for multidrug recognitionand antimicrobial resistance by MTRR, an efflux pump regulator from Neisseria Gonorrhoeae
TO BE PUBLISHED
3LIB
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BU of 3lib by Molmil
Crystal Structure of the extracellular domain of the putative histidine kinase mmHK1S-Z3
分子名称: Hypothetical sensory transduction histidine kinase, POTASSIUM ION
著者Zhang, Z, Hendrickson, W.A.
登録日2010-01-24
公開日2010-05-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Structural characterization of the predominant family of histidine kinase sensor domains.
J.Mol.Biol., 400, 2010
3LKS
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BU of 3lks by Molmil
Crystal Structure of HLA B*3501 in complex with influenza NP418 epitope from 1980 strain
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ...
著者Gras, S, Kedzierski, L, Valkenburg, S.A, Liu, Y.C, Denholm, J, Richards, M, Rimmelzwaan, G.F, Doherty, P.C, Turner, S.J, Rossjohn, J, Kedzierska, K.
登録日2010-01-27
公開日2010-07-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Cross-reactive CD8+ T-cell immunity between the pandemic H1N1-2009 and H1N1-1918 influenza A viruses.
Proc.Natl.Acad.Sci.USA, 107, 2010
3VUY
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BU of 3vuy by Molmil
Crystal structure of A20 ZF7 in complex with linear tetraubiquitin
分子名称: POTASSIUM ION, Polyubiquitin-C, Tumor necrosis factor alpha-induced protein 3, ...
著者Nishimasu, H, Ishitani, R, Nureki, O.
登録日2012-07-09
公開日2013-02-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.981 Å)
主引用文献Specific recognition of linear polyubiquitin by A20 zinc finger 7 is involved in NF-kappaB regulation
Embo J., 31, 2012
3L6H
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BU of 3l6h by Molmil
Crystal structure of lactococcal OpuAC in its closed-liganded conformation complexed with glycine betaine
分子名称: Betaine ABC transporter permease and substrate binding protein, CHLORIDE ION, TRIMETHYL GLYCINE
著者Berntsson, R.P.A, Wolters, J.C, Gul, N, Karasawa, A, Thunnissen, A.M.W.H, Slotboom, D.J, Poolman, B.
登録日2009-12-23
公開日2010-05-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Ligand binding and crystal structures of the substrate-binding domain of the ABC transporter OpuA.
Plos One, 5, 2010
3LRB
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BU of 3lrb by Molmil
Structure of E. coli AdiC
分子名称: Arginine/agmatine antiporter
著者Gao, X, Lu, F, Zhou, L, Shi, Y.
登録日2010-02-10
公開日2010-02-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.61 Å)
主引用文献Structure and mechanism of an amino acid antiporter
Science, 324, 2009
3L7N
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BU of 3l7n by Molmil
Crystal structure of SMU.1228c
分子名称: Putative uncharacterized protein
著者Fan, X.-X, Wang, K.-T, Su, X.-D.
登録日2009-12-29
公開日2010-12-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of SMU.1228c
TO BE PUBLISHED
3VQ5
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BU of 3vq5 by Molmil
HIV-1 IN core domain in complex with N-METHYL-1-(4-METHYL-2-PHENYL-1,3-THIAZOL-5-YL)METHANAMINE
分子名称: CADMIUM ION, CHLORIDE ION, N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine, ...
著者Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J.
登録日2012-03-20
公開日2013-01-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
3LBY
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BU of 3lby by Molmil
Crystal structure of SMU.1697c, a putative methyltransferase from streptococcus mutans in complex with SAH
分子名称: Putative uncharacterized protein SMU.1697c, S-ADENOSYL-L-HOMOCYSTEINE
著者Wang, K.-T, Nan, J, Su, X.-D.
登録日2010-01-08
公開日2011-01-12
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of SMU.1697c, a putative methyltransferase from streptococcus mutans in complex with SAH
To be published
3VVP
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Crystal structure of MATE in complex with Br-NRF
分子名称: 6-bromo-1-ethyl-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid, Putative uncharacterized protein
著者Tanaka, Y, Ishitani, R, Nureki, O.
登録日2012-07-27
公開日2013-04-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Structural basis for the drug extrusion mechanism by a MATE multidrug transporter.
Nature, 496, 2013
3LPT
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BU of 3lpt by Molmil
HIV integrase
分子名称: (6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)acetic acid, 2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol, CALCIUM ION, ...
著者Nicolet, S, Christ, F, Voet, A, Marchand, A, Strelkov, S.V, de Maeyer, M, Chaltin, P, Debyzer, Z.
登録日2010-02-05
公開日2010-05-12
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Rational design of small-molecule inhibitors of the LEDGF/p75-integrase interaction and HIV replication.
Nat.Chem.Biol., 6, 2010
3LR0
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BU of 3lr0 by Molmil
Periplasmic domain of the risS sensor protein from Burkholderia pseudomallei, iodide phased at low pH
分子名称: IODIDE ION, Sensor protein
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-02-10
公開日2010-06-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for pH sensing by the periplasmic domain of the risS histidine kinase from Bukholderia pseudomallei
To be Published
3V8T
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BU of 3v8t by Molmil
Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 477
分子名称: 3-{2-[5-(difluoromethyl)-2H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl}pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
著者McLean, L.R, Zhang, Y.
登録日2011-12-23
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3LVB
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BU of 3lvb by Molmil
Crystal structure of the Ferredoxin:NADP+ reductase from maize root at 1.7 angstroms - Test Set Withheld
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin-NADP reductase
著者Faber, H.R, Karplus, P.A, Aliverti, A, Ferioli, C, Spinola, M.
登録日2010-02-19
公開日2010-03-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Biochemical and crystallographic characterization of ferredoxin-NADP(+) reductase from nonphotosynthetic tissues
Biochemistry, 40, 2001
3LPU
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HIV integrase
分子名称: (2S)-2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid, 2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol, CALCIUM ION, ...
著者Nicolet, S, Christ, F, Voet, A, Marchand, A, Strelkov, S.V, de Maeyer, M, Chaltin, P, Debyzer, Z.
登録日2010-02-06
公開日2010-05-12
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Rational design of small-molecule inhibitors of the LEDGF/p75-integrase interaction and HIV replication.
Nat.Chem.Biol., 6, 2010
3LQU
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Crystal structure of 3,4-Dihydroxy-2-butanone 4-phosphate synthase complexed with Ribulose-5 phosphate
分子名称: 3,4-dihydroxy-2-butanone 4-phosphate synthase, 5-O-phosphono-D-xylulose
著者Kumar, P, Karthikeyan, S.
登録日2010-02-10
公開日2010-09-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.522 Å)
主引用文献Potential anti-bacterial drug target: structural characterization of 3,4-dihydroxy-2-butanone-4-phosphate synthase from Salmonella typhimurium LT2.
Proteins, 78, 2010

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件を2024-09-04に公開中

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