5ORX
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![BU of 5orx by Molmil](/molmil-images/mine/5orx) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | 6-[2,6-bis(chloranyl)phenoxy]pyridin-3-amine, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | Deposit date: | 2017-08-16 | Release date: | 2017-11-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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5OS6
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![BU of 5os6 by Molmil](/molmil-images/mine/5os6) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | (6-phenoxypyridin-3-yl)methanol, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | Deposit date: | 2017-08-16 | Release date: | 2017-11-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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5OSD
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![BU of 5osd by Molmil](/molmil-images/mine/5osd) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | 5-(4-chlorophenyl)furan-2-carbohydrazide, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | Deposit date: | 2017-08-17 | Release date: | 2017-11-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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4MXA
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![BU of 4mxa by Molmil](/molmil-images/mine/4mxa) | CDPK1 from Neospora caninum in complex with inhibitor RM-1-132 | Descriptor: | 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 | Authors: | Merritt, E.A. | Deposit date: | 2013-09-26 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy. Plos One, 9, 2014
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2Q05
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![BU of 2q05 by Molmil](/molmil-images/mine/2q05) | Crystal structure of tyr/ser protein phosphatase from Vaccinia virus WR | Descriptor: | Dual specificity protein phosphatase | Authors: | Osipiuk, J, Skarina, T, Kagan, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-05-18 | Release date: | 2007-06-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Crystal structure of tyr/ser protein phosphatase from Vaccinia virus WR. To be Published
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5XGR
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![BU of 5xgr by Molmil](/molmil-images/mine/5xgr) | Structure of the S1 subunit C-terminal domain from bat-derived coronavirus HKU5 spike protein | Descriptor: | 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 | Authors: | Xue, H, Qi, J, Song, H, Qihui, W, Shi, Y, Gao, G.F. | Deposit date: | 2017-04-16 | Release date: | 2017-05-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of the S1 subunit C-terminal domain from bat-derived coronavirus HKU5 spike protein Virology, 507, 2017
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3BRK
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![BU of 3brk by Molmil](/molmil-images/mine/3brk) | |
4MKA
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![BU of 4mka by Molmil](/molmil-images/mine/4mka) | 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) | Descriptor: | 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, ... | Authors: | Harris, S.F, Wong, A. | Deposit date: | 2013-09-04 | Release date: | 2013-10-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of a Novel Series of Potent Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B. J.Med.Chem., 56, 2013
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3TYP
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![BU of 3typ by Molmil](/molmil-images/mine/3typ) | The crystal structure of the inorganic triphosphatase NE1496 | Descriptor: | 1,2-ETHANEDIOL, SODIUM ION, Uncharacterized protein | Authors: | Lunin, V.V, Skarina, T, Onopriyenko, O, Binkowski, T.A, Joachimiak, A, Edwards, A.M, Savchenko, A. | Deposit date: | 2011-09-26 | Release date: | 2012-05-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A specific inorganic triphosphatase from Nitrosomonas europaea: structure and catalytic mechanism. J.Biol.Chem., 286, 2011
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5W88
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![BU of 5w88 by Molmil](/molmil-images/mine/5w88) | |
5WCL
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![BU of 5wcl by Molmil](/molmil-images/mine/5wcl) | NMR structure of the N-domain of troponin C bound to switch region of troponin I and 3-methyldiphenylamine (solvent exposed mode) | Descriptor: | 3-methyl-N-phenylaniline, Troponin C, slow skeletal and cardiac muscles,Troponin I, ... | Authors: | Cai, F, Hwang, P.M, Sykes, B.D. | Deposit date: | 2017-06-30 | Release date: | 2017-07-19 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structures reveal details of small molecule binding to cardiac troponin. J. Mol. Cell. Cardiol., 101, 2016
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3L5J
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![BU of 3l5j by Molmil](/molmil-images/mine/3l5j) | Crystal structure of FnIII domains of human GP130 (Domains 4-6) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Interleukin-6 receptor subunit beta | Authors: | Kershaw, N.J, Zhang, J.-G, Garrett, T.P.J, Czabotar, P.E. | Deposit date: | 2009-12-22 | Release date: | 2010-05-12 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (3.042 Å) | Cite: | Crystal structure of the entire ectodomain of gp130: insights into the molecular assembly of the tall cytokine receptor complexes. J.Biol.Chem., 285, 2010
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3C60
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![BU of 3c60 by Molmil](/molmil-images/mine/3c60) | |
1LVC
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![BU of 1lvc by Molmil](/molmil-images/mine/1lvc) | Crystal structure of the adenylyl cyclase domain of anthrax edema factor (EF) in complex with calmodulin and 2' deoxy, 3' anthraniloyl ATP | Descriptor: | 3'ANTHRANILOYL-2'-DEOXY-ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, YTTERBIUM (III) ION, ... | Authors: | Shen, Y, Lee, Y.-S, Soelaiman, S, Bergson, P, Lu, D, Chen, A, Beckingham, K, Grabarek, Z, Mrksich, M, Tang, W.-J. | Deposit date: | 2002-05-28 | Release date: | 2002-12-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Physiological calcium concentrations regulate calmodulin binding and catalysis of adenylyl cyclase exotoxins Embo J., 21, 2002
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3C9K
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![BU of 3c9k by Molmil](/molmil-images/mine/3c9k) | Model of Histone Octamer Tubular Crystals | Descriptor: | Histone H2A-IV, Histone H2B 7, Histone H3.2, ... | Authors: | Frouws, T.D. | Deposit date: | 2008-02-16 | Release date: | 2009-01-06 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (20 Å) | Cite: | Histone octamer helical tubes suggest that an internucleosomal four-helix bundle stabilizes the chromatin fiber Biophys.J., 96, 2009
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3AJ1
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![BU of 3aj1 by Molmil](/molmil-images/mine/3aj1) | The structure of AxCeSD octamer (N-terminal HIS-tag) from Acetobacter xylinum | Descriptor: | Cellulose synthase operon protein D | Authors: | Hu, S.Q, Tajima, K, Zhou, Y, Tanaka, I, Yao, M. | Deposit date: | 2010-05-20 | Release date: | 2010-10-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of bacterial cellulose synthase subunit D octamer with four inner passageways Proc.Natl.Acad.Sci.USA, 107, 2010
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4N0I
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![BU of 4n0i by Molmil](/molmil-images/mine/4n0i) | Crystal structure of S. cerevisiae mitochondrial GatFAB in complex with glutamine | Descriptor: | GLUTAMINE, Glutamyl-tRNA(Gln) amidotransferase subunit A, mitochondrial, ... | Authors: | Araiso, Y, Ishitani, R, Nureki, O. | Deposit date: | 2013-10-02 | Release date: | 2014-04-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Crystal structure of Saccharomyces cerevisiae mitochondrial GatFAB reveals a novel subunit assembly in tRNA-dependent amidotransferases Nucleic Acids Res., 42, 2014
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4N79
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![BU of 4n79 by Molmil](/molmil-images/mine/4n79) | Structure of Cathepsin K-dermatan sulfate complex | Descriptor: | 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 | Authors: | Aguda, A.H, Nguyen, N.T, Bromme, D, Brayer, G.D. | Deposit date: | 2013-10-15 | Release date: | 2014-11-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Structural basis of collagen fiber degradation by cathepsin K. Proc.Natl.Acad.Sci.USA, 111, 2014
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4MZA
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![BU of 4mza by Molmil](/molmil-images/mine/4mza) | Crystal structure of hPIV3 hemagglutinin-neuraminidase | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Xu, R, Wilson, I.A. | Deposit date: | 2013-09-29 | Release date: | 2013-11-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.653 Å) | Cite: | Interaction between the hemagglutinin-neuraminidase and fusion glycoproteins of human parainfluenza virus type III regulates viral growth in vivo. MBio, 4, 2013
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3KZ1
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![BU of 3kz1 by Molmil](/molmil-images/mine/3kz1) | Crystal Structure of the Complex of PDZ-RhoGEF DH/PH domains with GTP-gamma-S Activated RhoA | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Rho guanine nucleotide exchange factor 11, ... | Authors: | Chen, Z, Sternweis, P.C, Sprang, S.R. | Deposit date: | 2009-12-07 | Release date: | 2010-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Activated RhoA binds to the pleckstrin homology (PH) domain of PDZ-RhoGEF, a potential site for autoregulation. J.Biol.Chem., 285, 2010
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3CD4
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![BU of 3cd4 by Molmil](/molmil-images/mine/3cd4) | |
2ZS0
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![BU of 2zs0 by Molmil](/molmil-images/mine/2zs0) | Structural Basis for the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin | Descriptor: | CALCIUM ION, CHLORIDE ION, Extracellular giant hemoglobin major globin subunit A1, ... | Authors: | Numoto, N, Nakagawa, T, Kita, A, Sasayama, Y, Fukumori, Y, Miki, K. | Deposit date: | 2008-09-02 | Release date: | 2008-10-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Basis for the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin Biochemistry, 47, 2008
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1MKL
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![BU of 1mkl by Molmil](/molmil-images/mine/1mkl) | NMR REFINED STRUCTURE OF THE 8,9-DIHYDRO-8-(N7-GUANYL)-9-HYDROXY-AFLATOXIN B1 ADDUCT IN A 5'-CPAFBG-3' SEQUENCE | Descriptor: | 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 | Authors: | Giri, I, Jenkins, M.D, Schnetz-Boutaud, N.C, Stone, M.P. | Deposit date: | 2002-08-29 | Release date: | 2002-10-16 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | 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
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3L5H
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![BU of 3l5h by Molmil](/molmil-images/mine/3l5h) | Crystal structure of the full ectodomain of human gp130: New insights into the molecular assembly of receptor complexes | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-6 receptor subunit beta, SULFATE ION, ... | Authors: | Xu, Y, Garrett, T.P.J, Zhang, J.G. | Deposit date: | 2009-12-21 | Release date: | 2010-05-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Crystal structure of the entire ectodomain of gp130: insights into the molecular assembly of the tall cytokine receptor complexes. J.Biol.Chem., 285, 2010
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3DDC
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![BU of 3ddc by Molmil](/molmil-images/mine/3ddc) | Crystal Structure of NORE1A in Complex with RAS | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Stieglitz, B, Bee, C, Schwarz, D, Yildiz, O, Moshnikova, A, Khokhlatchev, A, Herrmann, C. | Deposit date: | 2008-06-05 | Release date: | 2008-07-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Novel type of Ras effector interaction established between tumour suppressor NORE1A and Ras switch II Embo J., 27, 2008
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