6WQQ
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6WRS
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2X6E
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![BU of 2x6e by Molmil](/molmil-images/mine/2x6e) | Aurora-A bound to an inhibitor | Descriptor: | 6-BROMO-7-{4-[(5-METHYLISOXAZOL-3-YL)METHYL]PIPERAZIN-1-YL}-2-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-IMIDAZO[4,5-B]PYRIDINE, SERINE/THREONINE-PROTEIN KINASE 6 | Authors: | Kosmopoulou, M, Bayliss, R. | Deposit date: | 2010-02-17 | Release date: | 2010-07-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Imidazo[4,5-b]pyridine derivatives as inhibitors of Aurora kinases: lead optimization studies toward the identification of an orally bioavailable preclinical development candidate. J. Med. Chem., 53, 2010
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6WQN
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2X6D
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![BU of 2x6d by Molmil](/molmil-images/mine/2x6d) | Aurora-A bound to an inhibitor | Descriptor: | 6-BROMO-7-[4-(4-CHLOROBENZYL)PIPERAZIN-1-YL]-2-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]-3H-IMIDAZO[4,5-B]PYRIDINE, SERINE/THREONINE-PROTEIN KINASE 6, SULFATE ION | Authors: | Kosmopoulou, M, Bayliss, R. | Deposit date: | 2010-02-17 | Release date: | 2010-07-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.796 Å) | Cite: | Imidazo[4,5-b]pyridine derivatives as inhibitors of Aurora kinases: lead optimization studies toward the identification of an orally bioavailable preclinical development candidate. J. Med. Chem., 53, 2010
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2WC0
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![BU of 2wc0 by Molmil](/molmil-images/mine/2wc0) | crystal structure of human insulin degrading enzyme in complex with iodinated insulin | Descriptor: | 1,4-DIETHYLENE DIOXIDE, INSULIN A CHAIN, INSULIN B CHAIN, ... | Authors: | Manolopoulou, M, Guo, Q, Malito, E, Schilling, A.B, Tang, W.J. | Deposit date: | 2009-03-06 | Release date: | 2009-03-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Molecular Basis of Catalytic Chamber-Assisted Unfolding and Cleavage of Human Insulin by Human Insulin Degrading Enzyme. J.Biol.Chem., 284, 2009
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2XNG
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![BU of 2xng by Molmil](/molmil-images/mine/2xng) | Structure of Aurora-A bound to a selective imidazopyrazine inhibitor | Descriptor: | N-(3-{3-chloro-8-[(4-morpholin-4-ylphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzyl)methanesulfonamide, SERINE/THREONINE-PROTEIN KINASE 6 | Authors: | Kosmopoulou, M, Bayliss, R. | Deposit date: | 2010-08-02 | Release date: | 2010-09-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.605 Å) | Cite: | Structure-based design of imidazo[1,2-a]pyrazine derivatives as selective inhibitors of Aurora-A kinase in cells. Bioorg. Med. Chem. Lett., 20, 2010
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6DDD
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![BU of 6ddd by Molmil](/molmil-images/mine/6ddd) | Structure of the 50S ribosomal subunit from Methicillin Resistant Staphylococcus aureus in complex with the oxazolidinone antibiotic LZD-5 | Descriptor: | 2,2-dichloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide, 23S rRNA, 50S ribosomal protein L13, ... | Authors: | Belousoff, M.J, Venugopal, H, Bamert, R.S, Lithgow, T. | Deposit date: | 2018-05-10 | Release date: | 2019-03-20 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | cryoEM-Guided Development of Antibiotics for Drug-Resistant Bacteria. ChemMedChem, 14, 2019
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2XNE
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![BU of 2xne by Molmil](/molmil-images/mine/2xne) | Structure of Aurora-A bound to an imidazopyrazine inhibitor | Descriptor: | 3-chloro-N-(4-morpholin-4-ylphenyl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine, SERINE/THREONINE-PROTEIN KINASE 6 | Authors: | Kosmopoulou, M, Bayliss, R. | Deposit date: | 2010-08-02 | Release date: | 2010-09-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based design of imidazo[1,2-a]pyrazine derivatives as selective inhibitors of Aurora-A kinase in cells. Bioorg. Med. Chem. Lett., 20, 2010
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6DDG
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![BU of 6ddg by Molmil](/molmil-images/mine/6ddg) | Structure of the 50S ribosomal subunit from Methicillin Resistant Staphylococcus aureus in complex with the oxazolidinone antibiotic LZD-6 | Descriptor: | 2-chloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide, 23S rRNA, 50S ribosomal protein L13, ... | Authors: | Belousoff, M.J, Venugopal, H, Bamert, R.S, Lithgow, T. | Deposit date: | 2018-05-10 | Release date: | 2019-03-20 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | cryoEM-Guided Development of Antibiotics for Drug-Resistant Bacteria. ChemMedChem, 14, 2019
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2WTV
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![BU of 2wtv by Molmil](/molmil-images/mine/2wtv) | Aurora-A Inhibitor Structure | Descriptor: | 1,2-ETHANEDIOL, 4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID, ACETATE ION, ... | Authors: | Kosmopoulou, M, Bayliss, R. | Deposit date: | 2009-09-22 | Release date: | 2010-01-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of an Aurora-A Mutant that Mimics Aurora-B Bound to Mln8054: Insights Into Selectivity and Drug Design. Biochem.J., 427, 2010
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1UZU
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![BU of 1uzu by Molmil](/molmil-images/mine/1uzu) | Glycogen Phosphorylase b in complex with indirubin-5'-sulphonate | Descriptor: | 2',3-DIOXO-1,1',2',3-TETRAHYDRO-2,3'-BIINDOLE-5'-SULFONIC ACID, GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, ... | Authors: | Kosmopoulou, M.N, Leonidas, D.D, Chrysina, E.D, Bischler, N, Eisenbrand, G, Sakarellos, C.E, Pauptit, R, Oikonomakos, N.G. | Deposit date: | 2004-03-16 | Release date: | 2004-05-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Binding of the potential antitumour agent indirubin-5-sulphonate at the inhibitor site of rabbit muscle glycogen phosphorylase b. Comparison with ligand binding to pCDK2-cyclin A complex. Eur. J. Biochem., 271, 2004
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3PIO
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![BU of 3pio by Molmil](/molmil-images/mine/3pio) | Crystal structure of the synergistic antibiotic pair lankamycin and lankacidin in complex with the large ribosomal subunit | Descriptor: | 50S ribosomal protein L11, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Belousoff, M.J, Shapira, T, Bashan, A, Zimmerman, E, Arakawa, K, Kinashi, H, Rozenberg, H, Yonath, A. | Deposit date: | 2010-11-07 | Release date: | 2011-02-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.2473 Å) | Cite: | Crystal structure of the synergistic antibiotic pair, lankamycin and lankacidin, in complex with the large ribosomal subunit. Proc.Natl.Acad.Sci.USA, 108, 2011
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4B0G
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![BU of 4b0g by Molmil](/molmil-images/mine/4b0g) | Complex of Aurora-A bound to an Imidazopyridine-based inhibitor | Descriptor: | 6-bromo-2-(1-methyl-1H-imidazol-5-yl)-7-{4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl}-1H-imidazo[4,5-b]pyridine, AURORA KINASE A, SULFATE ION | Authors: | Kosmopoulou, M, Bayliss, R. | Deposit date: | 2012-07-02 | Release date: | 2013-03-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Optimization of Imidazo[4,5-B]Pyridine-Based Kinase Inhibitors: Identification of a Dual Flt3/Aurora Kinase Inhibitor as an Orally Bioavailable Preclinical Development Candidate for the Treatment of Acute Myeloid Leukemia. J.Med.Chem., 55, 2012
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2WTW
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![BU of 2wtw by Molmil](/molmil-images/mine/2wtw) | Aurora-A Inhibitor Structure (2nd crystal form) | Descriptor: | 4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID, SERINE/THREONINE-PROTEIN KINASE 6 AURORA/IPL1-RELATED KINASE 1, BREAST TUMOR-AMPLIFIED KINASE, ... | Authors: | Kosmopoulou, M, Bayliss, R. | Deposit date: | 2009-09-24 | Release date: | 2010-01-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.302 Å) | Cite: | Crystal Structure of an Aurora-A Mutant that Mimics Aurora-B Bound to Mln8054: Insights Into Selectivity and Drug Design. Biochem.J., 427, 2010
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7LZJ
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3PIP
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![BU of 3pip by Molmil](/molmil-images/mine/3pip) | Crystal structure of the synergistic antibiotic pair lankamycin and lankacidin in complex with the large ribosomal subunit | Descriptor: | 50S ribosomal protein L11, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Belousoff, M.J, Shapira, T, Bashan, A, Zimmerman, E, Kinashi, H, Rozenberg, H, Yonath, A. | Deposit date: | 2010-11-07 | Release date: | 2011-02-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Crystal structure of the synergistic antibiotic pair, lankamycin and lankacidin, in complex with the large ribosomal subunit. Proc.Natl.Acad.Sci.USA, 108, 2011
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1Z62
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![BU of 1z62 by Molmil](/molmil-images/mine/1z62) | Indirubin-3'-aminooxy-acetate inhibits glycogen phosphorylase by binding at the inhibitor and the allosteric site. Broad specificities of the two sites | Descriptor: | ({[(3E)-2'-OXO-2',7'-DIHYDRO-2,3'-BIINDOL-3(7H)-YLIDENE]AMINO}OXY)ACETIC ACID, Glycogen phosphorylase, muscle form, ... | Authors: | Kosmopoulou, M.N, Leonidas, D.D, Chrysina, E.D, Eisenbrand, G, Oikonomakos, N.G. | Deposit date: | 2005-03-21 | Release date: | 2006-03-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Indirubin-3'-Aminooxy-Acetate Inhibits Glycogen Phosphorylase by Binding at the Inhibitor and the Allosteric Site. Broad Specificities of the Two Sites LETT.DRUG DES.DISCOVERY, 2, 2005
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2IMU
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![BU of 2imu by Molmil](/molmil-images/mine/2imu) | NMR structure of pep46 from the infectious bursal disease virus (IBDV) in dodecylphosphocholin (DPC). | Descriptor: | Structural polyprotein (PP) p1 | Authors: | Galloux, M, Libersou, S, Morellet, N, Bouaziz, S, Ouldali, M, Da Costa, B, Lepault, J, Delmas, B. | Deposit date: | 2006-10-05 | Release date: | 2007-06-05 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Cell entry of a dsRNA virus through pores induced by one of its structural peptides. To be Published
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1N26
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![BU of 1n26 by Molmil](/molmil-images/mine/1n26) | Crystal Structure of the extra-cellular domains of Human Interleukin-6 Receptor alpha chain | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Varghese, J.N, Moritz, R.L, Lou, M.-Z, van Donkelaar, A, Ji, H, Ivancic, N, Branson, K.M, Hall, N.E, Simpson, R.J. | Deposit date: | 2002-10-22 | Release date: | 2002-12-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the extracellular domains of the human interleukin-6 receptor alpha-chain. Proc.Natl.Acad.Sci.USA, 99, 2002
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1MOX
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![BU of 1mox by Molmil](/molmil-images/mine/1mox) | Crystal Structure of Human Epidermal Growth Factor Receptor (residues 1-501) in complex with TGF-alpha | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Garrett, T.P.J, McKern, N.M, Lou, M, Elleman, T.C, Adams, T.E, Lovrecz, G.O, Zhu, H.-J, Walker, F, Frenkel, M.J, Hoyne, P.A, Jorissen, R.N, Nice, E.C, Burgess, A.W, Ward, C.W. | Deposit date: | 2002-09-10 | Release date: | 2003-09-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of a Truncated Epidermal Growth Factor Receptor Extracellular Domain Bound to Transforming Growth Factor alpha Cell(Cambridge,Mass.), 110, 2002
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2B8H
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![BU of 2b8h by Molmil](/molmil-images/mine/2b8h) | A/NWS/whale/Maine/1/84 (H1N9) reassortant influenza virus neuraminidase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Smith, B.J, Platis, D, Cox, M.M.J, Huyton, T, Joosten, R.P, McKimm-Breschkin, J.L, Zhang, J.-G, Luo, C.S, Lou, M.-Z, Garrett, T.P.J, Labrou, N.E. | Deposit date: | 2005-10-07 | Release date: | 2006-09-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of a calcium-deficient form of influenza virus neuraminidase: implications for substrate binding. Acta Crystallogr.,Sect.D, 62, 2006
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2A91
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![BU of 2a91 by Molmil](/molmil-images/mine/2a91) | Crystal structure of ErbB2 domains 1-3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Receptor tyrosine-protein kinase erbB-2 | Authors: | Garrett, T.P.J, McKern, N.M, Lou, M, Elleman, T.C, Adams, T.E, Lovrecz, G.O, Kofler, M, Jorissen, R.N, Nice, E.C, Burgess, A.W. | Deposit date: | 2005-07-11 | Release date: | 2005-07-26 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Crystal Structure of a Truncated ErbB2 Ectodomain Reveals an Active Conformation, Poised to Interact with Other ErbB Receptors Mol.Cell, 11, 2003
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1IGR
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![BU of 1igr by Molmil](/molmil-images/mine/1igr) | Type 1 Insulin-like growth factor receptor (DOMAINS 1-3) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, INSULIN-LIKE GROWTH FACTOR RECEPTOR 1, ... | Authors: | Garrett, T.P.J, Mckern, N.M, Lou, M, Frenkel, M.J, Bentley, J.D, Lovrecz, G.O, Elleman, T.C, Cosgrove, L.J, Ward, C.W. | Deposit date: | 1998-09-28 | Release date: | 1999-09-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the first three domains of the type-1 insulin-like growth factor receptor. Nature, 394, 1998
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4I51
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![BU of 4i51 by Molmil](/molmil-images/mine/4i51) | Methyltransferase domain of HUMAN EUCHROMATIC HISTONE METHYLTRANSFERASE 1, mutant Y1211A | Descriptor: | GLYCEROL, H3K9 NE-ALLYL PEPTIDE, Histone-lysine N-methyltransferase EHMT1, ... | Authors: | Dong, A, Zeng, H, Walker, J.R, Islam, K, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Lou, M, Min, J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2012-11-28 | Release date: | 2012-12-19 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Defining efficient enzyme-cofactor pairs for bioorthogonal profiling of protein methylation. Proc.Natl.Acad.Sci.USA, 110, 2013
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