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5ORX
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Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
分子名称: 6-[2,6-bis(chloranyl)phenoxy]pyridin-3-amine, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R.
登録日2017-08-16
公開日2017-11-01
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
5OS6
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BU of 5os6 by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
分子名称: (6-phenoxypyridin-3-yl)methanol, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R.
登録日2017-08-16
公開日2017-11-01
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
5OSD
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BU of 5osd by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
分子名称: 5-(4-chlorophenyl)furan-2-carbohydrazide, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R.
登録日2017-08-17
公開日2017-11-01
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
4MXA
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BU of 4mxa by Molmil
CDPK1 from Neospora caninum in complex with inhibitor RM-1-132
分子名称: 3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-like domain protein kinase isoenzyme gamma, related
著者Merritt, E.A.
登録日2013-09-26
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy.
Plos One, 9, 2014
2Q05
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BU of 2q05 by Molmil
Crystal structure of tyr/ser protein phosphatase from Vaccinia virus WR
分子名称: Dual specificity protein phosphatase
著者Osipiuk, J, Skarina, T, Kagan, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2007-05-18
公開日2007-06-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Crystal structure of tyr/ser protein phosphatase from Vaccinia virus WR.
To be Published
5XGR
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BU of 5xgr by Molmil
Structure of the S1 subunit C-terminal domain from bat-derived coronavirus HKU5 spike protein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1
著者Xue, H, Qi, J, Song, H, Qihui, W, Shi, Y, Gao, G.F.
登録日2017-04-16
公開日2017-05-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of the S1 subunit C-terminal domain from bat-derived coronavirus HKU5 spike protein
Virology, 507, 2017
3BRK
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BU of 3brk by Molmil
Crystal Structure of ADP-Glucose Pyrophosphorylase from Agrobacterium tumefaciens
分子名称: Glucose-1-phosphate adenylyltransferase, SULFATE ION
著者Cupp-Vickery, J, Meyer, C, Igarashi, R.
登録日2007-12-21
公開日2008-04-22
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural analysis of ADP-glucose pyrophosphorylase from the bacterium Agrobacterium tumefaciens.
Biochemistry, 47, 2008
4MKA
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BU of 4mka by Molmil
Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with inhibitor 13 (N-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1,3-benzoxazol-5-yl}methanesulfonamide)
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, N-{3-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1-oxo-1H-isochromen-7-yl}methanesulfonamide, ...
著者Harris, S.F, Wong, A.
登録日2013-09-04
公開日2013-10-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of a Novel Series of Potent Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B.
J.Med.Chem., 56, 2013
3TYP
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BU of 3typ by Molmil
The crystal structure of the inorganic triphosphatase NE1496
分子名称: 1,2-ETHANEDIOL, SODIUM ION, Uncharacterized protein
著者Lunin, V.V, Skarina, T, Onopriyenko, O, Binkowski, T.A, Joachimiak, A, Edwards, A.M, Savchenko, A.
登録日2011-09-26
公開日2012-05-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A specific inorganic triphosphatase from Nitrosomonas europaea: structure and catalytic mechanism.
J.Biol.Chem., 286, 2011
5W88
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BU of 5w88 by Molmil
NMR structure of the N-domain of troponin C bound to switch region of troponin I and 3-methyldiphenylamine (peptide mode)
分子名称: 3-methyl-N-phenylaniline, Troponin C, Troponin I
著者Cai, F, Hwang, P.M, Sykes, B.D.
登録日2017-06-21
公開日2017-07-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structures reveal details of small molecule binding to cardiac troponin.
J. Mol. Cell. Cardiol., 101, 2016
5WCL
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BU of 5wcl by Molmil
NMR structure of the N-domain of troponin C bound to switch region of troponin I and 3-methyldiphenylamine (solvent exposed mode)
分子名称: 3-methyl-N-phenylaniline, Troponin C, slow skeletal and cardiac muscles,Troponin I, ...
著者Cai, F, Hwang, P.M, Sykes, B.D.
登録日2017-06-30
公開日2017-07-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structures reveal details of small molecule binding to cardiac troponin.
J. Mol. Cell. Cardiol., 101, 2016
3L5J
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BU of 3l5j by Molmil
Crystal structure of FnIII domains of human GP130 (Domains 4-6)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Interleukin-6 receptor subunit beta
著者Kershaw, N.J, Zhang, J.-G, Garrett, T.P.J, Czabotar, P.E.
登録日2009-12-22
公開日2010-05-12
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (3.042 Å)
主引用文献Crystal structure of the entire ectodomain of gp130: insights into the molecular assembly of the tall cytokine receptor complexes.
J.Biol.Chem., 285, 2010
3C60
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BU of 3c60 by Molmil
Crystal structure of mouse MHC class II I-Ab/3K peptide complexed with mouse TCR YAe62
分子名称: 3K peptide, Linker, and H-2 class II histocompatibility antigen (A beta chain), ...
著者Dai, S.
登録日2008-02-01
公開日2008-04-29
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Crossreactive T Cells spotlight the germline rules for alphabeta T cell-receptor interactions with MHC molecules.
Immunity, 28, 2008
1LVC
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BU of 1lvc by Molmil
Crystal structure of the adenylyl cyclase domain of anthrax edema factor (EF) in complex with calmodulin and 2' deoxy, 3' anthraniloyl ATP
分子名称: 3'ANTHRANILOYL-2'-DEOXY-ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, YTTERBIUM (III) ION, ...
著者Shen, Y, Lee, Y.-S, Soelaiman, S, Bergson, P, Lu, D, Chen, A, Beckingham, K, Grabarek, Z, Mrksich, M, Tang, W.-J.
登録日2002-05-28
公開日2002-12-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Physiological calcium concentrations regulate calmodulin binding and catalysis of adenylyl cyclase exotoxins
Embo J., 21, 2002
3C9K
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BU of 3c9k by Molmil
Model of Histone Octamer Tubular Crystals
分子名称: Histone H2A-IV, Histone H2B 7, Histone H3.2, ...
著者Frouws, T.D.
登録日2008-02-16
公開日2009-01-06
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (20 Å)
主引用文献Histone octamer helical tubes suggest that an internucleosomal four-helix bundle stabilizes the chromatin fiber
Biophys.J., 96, 2009
3AJ1
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BU of 3aj1 by Molmil
The structure of AxCeSD octamer (N-terminal HIS-tag) from Acetobacter xylinum
分子名称: Cellulose synthase operon protein D
著者Hu, S.Q, Tajima, K, Zhou, Y, Tanaka, I, Yao, M.
登録日2010-05-20
公開日2010-10-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of bacterial cellulose synthase subunit D octamer with four inner passageways
Proc.Natl.Acad.Sci.USA, 107, 2010
4N0I
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BU of 4n0i by Molmil
Crystal structure of S. cerevisiae mitochondrial GatFAB in complex with glutamine
分子名称: GLUTAMINE, Glutamyl-tRNA(Gln) amidotransferase subunit A, mitochondrial, ...
著者Araiso, Y, Ishitani, R, Nureki, O.
登録日2013-10-02
公開日2014-04-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Crystal structure of Saccharomyces cerevisiae mitochondrial GatFAB reveals a novel subunit assembly in tRNA-dependent amidotransferases
Nucleic Acids Res., 42, 2014
4N79
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BU of 4n79 by Molmil
Structure of Cathepsin K-dermatan sulfate complex
分子名称: Cathepsin K, alpha-L-idopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-alpha-L-idopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-alpha-L-idopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose
著者Aguda, A.H, Nguyen, N.T, Bromme, D, Brayer, G.D.
登録日2013-10-15
公開日2014-11-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structural basis of collagen fiber degradation by cathepsin K.
Proc.Natl.Acad.Sci.USA, 111, 2014
4MZA
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BU of 4mza by Molmil
Crystal structure of hPIV3 hemagglutinin-neuraminidase
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Xu, R, Wilson, I.A.
登録日2013-09-29
公開日2013-11-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.653 Å)
主引用文献Interaction between the hemagglutinin-neuraminidase and fusion glycoproteins of human parainfluenza virus type III regulates viral growth in vivo.
MBio, 4, 2013
3KZ1
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BU of 3kz1 by Molmil
Crystal Structure of the Complex of PDZ-RhoGEF DH/PH domains with GTP-gamma-S Activated RhoA
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Rho guanine nucleotide exchange factor 11, ...
著者Chen, Z, Sternweis, P.C, Sprang, S.R.
登録日2009-12-07
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Activated RhoA binds to the pleckstrin homology (PH) domain of PDZ-RhoGEF, a potential site for autoregulation.
J.Biol.Chem., 285, 2010
3CD4
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BU of 3cd4 by Molmil
REFINEMENT AND ANALYSIS OF THE FIRST TWO DOMAINS OF HUMAN CD4
分子名称: T CELL SURFACE GLYCOPROTEIN CD4
著者Garrett, T.P.J, Wang, J, Yan, Y, Harrison, S.C.
登録日1992-07-30
公開日1993-10-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Refinement and analysis of the structure of the first two domains of human CD4
J.Mol.Biol., 234, 1993
2ZS0
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BU of 2zs0 by Molmil
Structural Basis for the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin
分子名称: CALCIUM ION, CHLORIDE ION, Extracellular giant hemoglobin major globin subunit A1, ...
著者Numoto, N, Nakagawa, T, Kita, A, Sasayama, Y, Fukumori, Y, Miki, K.
登録日2008-09-02
公開日2008-10-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Basis for the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin
Biochemistry, 47, 2008
1MKL
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BU of 1mkl by Molmil
NMR REFINED STRUCTURE OF THE 8,9-DIHYDRO-8-(N7-GUANYL)-9-HYDROXY-AFLATOXIN B1 ADDUCT IN A 5'-CPAFBG-3' SEQUENCE
分子名称: 5'-D(*AP*CP*AP*TP*CP*GP*AP*TP*CP*T)-3', 5'-D(*AP*GP*AP*TP*CP*GP*AP*TP*GP*T)-3', 8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1
著者Giri, I, Jenkins, M.D, Schnetz-Boutaud, N.C, Stone, M.P.
登録日2002-08-29
公開日2002-10-16
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural refinement of the 8,9-dihydro-8-(N7-guanyl)-9-hydroxy-aflatoxin B(1) adduct in a 5'-Cp(AFB)G-3' sequence.
Chem.Res.Toxicol., 15, 2002
3L5H
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BU of 3l5h by Molmil
Crystal structure of the full ectodomain of human gp130: New insights into the molecular assembly of receptor complexes
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-6 receptor subunit beta, SULFATE ION, ...
著者Xu, Y, Garrett, T.P.J, Zhang, J.G.
登録日2009-12-21
公開日2010-05-19
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Crystal structure of the entire ectodomain of gp130: insights into the molecular assembly of the tall cytokine receptor complexes.
J.Biol.Chem., 285, 2010
3DDC
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BU of 3ddc by Molmil
Crystal Structure of NORE1A in Complex with RAS
分子名称: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Stieglitz, B, Bee, C, Schwarz, D, Yildiz, O, Moshnikova, A, Khokhlatchev, A, Herrmann, C.
登録日2008-06-05
公開日2008-07-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Novel type of Ras effector interaction established between tumour suppressor NORE1A and Ras switch II
Embo J., 27, 2008

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