3AO5
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![BU of 3ao5 by Molmil](/molmil-images/mine/3ao5) | Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase | Descriptor: | 5-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-3-amine, CADMIUM ION, CHLORIDE ION, ... | Authors: | Wielens, J, Headey, S.J, Parker, M.W, Chalmers, D.K, Scanlon, M.J. | Deposit date: | 2010-09-21 | Release date: | 2011-03-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1 Chemmedchem, 6, 2011
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3AO2
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![BU of 3ao2 by Molmil](/molmil-images/mine/3ao2) | Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-5-amine, ... | Authors: | Wielens, J, Chalmers, D.K, Headey, S.J, Parker, M.W, Scanlon, M.J. | Deposit date: | 2010-09-20 | Release date: | 2011-03-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1 Chemmedchem, 6, 2011
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3BAE
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![BU of 3bae by Molmil](/molmil-images/mine/3bae) | Crystal structure of Fab WO2 bound to the N terminal domain of Amyloid beta peptide (1-28) | Descriptor: | Amyloid Beta Peptide, WO2 IgG2a Fab fragment Heavy Chain, WO2 IgG2a Fab fragment Light Chain Kappa | Authors: | Miles, L.A, Wun, K.S, Crespi, G.A, Parker, M.W. | Deposit date: | 2007-11-07 | Release date: | 2008-04-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.593 Å) | Cite: | Amyloid-beta-anti-amyloid-beta complex structure reveals an extended conformation in the immunodominant B-cell epitope. J.Mol.Biol., 377, 2008
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3BKC
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![BU of 3bkc by Molmil](/molmil-images/mine/3bkc) | Crystal structure of anti-amyloid beta FAB WO2 (P21, FormB) | Descriptor: | SODIUM ION, WO2 IgG2a Fab fragment Heavy Chain, WO2 IgG2a Fab fragment Light Chain Kappa | Authors: | Miles, L.A, Wun, K.S, Crespi, G.A, Fodero-Tavoletti, M, Galatis, D, Bageley, C.J, Beyreuther, K, Masters, C.L, Cappai, R, McKinstry, W.J, Barnham, K.J, Parker, M.W. | Deposit date: | 2007-12-06 | Release date: | 2008-04-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Amyloid-beta-anti-amyloid-beta complex structure reveals an extended conformation in the immunodominant B-cell epitope. J.Mol.Biol., 377, 2008
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3AO4
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![BU of 3ao4 by Molmil](/molmil-images/mine/3ao4) | Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase | Descriptor: | 3-(1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-5-amine, CADMIUM ION, CHLORIDE ION, ... | Authors: | Wielens, J, Headey, S.J, Parker, M.W, Chalmers, D.K, Scanlon, M.J. | Deposit date: | 2010-09-20 | Release date: | 2011-03-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1 Chemmedchem, 6, 2011
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3AO3
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![BU of 3ao3 by Molmil](/molmil-images/mine/3ao3) | Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase | Descriptor: | 3-(1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazole-5-carboxylic acid, CADMIUM ION, CHLORIDE ION, ... | Authors: | Wielens, J, Headey, S.J, Parker, M.W, Chalmers, D.K, Scanlon, M.J. | Deposit date: | 2010-09-20 | Release date: | 2011-03-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1 Chemmedchem, 6, 2011
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3FFD
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![BU of 3ffd by Molmil](/molmil-images/mine/3ffd) | Structure of parathyroid hormone-related protein complexed to a neutralizing monoclonal antibody | Descriptor: | Monoclonal antibody, heavy chain, Fab fragment, ... | Authors: | Mckinstry, W.J, Polekhina, G, Diefenbach-Jagger, H, Ho, P.W.M, Sato, K, Onuma, E, Gillespie, M.T, Martin, T.J, Parker, M.W. | Deposit date: | 2008-12-03 | Release date: | 2009-04-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for antibody discrimination between two hormones that recognize the parathyroid hormone receptor J.Biol.Chem., 284, 2009
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3CWL
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![BU of 3cwl by Molmil](/molmil-images/mine/3cwl) | Crystal structure of alpha-1-antitrypsin, crystal form B | Descriptor: | Alpha-1-antitrypsin, CHLORIDE ION | Authors: | Morton, C.J, Hansen, G, Feil, S.C, Adams, J.J, Parker, M.W. | Deposit date: | 2008-04-22 | Release date: | 2008-09-23 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Preventing serpin aggregation: The molecular mechanism of citrate action upon antitrypsin unfolding. Protein Sci., 17, 2008
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3CWM
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![BU of 3cwm by Molmil](/molmil-images/mine/3cwm) | Crystal structure of alpha-1-antitrypsin complexed with citrate | Descriptor: | Alpha-1-antitrypsin, CITRIC ACID | Authors: | Morton, C.J, Hansen, G, Feil, S.C, Adams, J.J, Parker, M.W. | Deposit date: | 2008-04-22 | Release date: | 2008-09-23 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Preventing serpin aggregation: The molecular mechanism of citrate action upon antitrypsin unfolding. Protein Sci., 17, 2008
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3DAQ
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![BU of 3daq by Molmil](/molmil-images/mine/3daq) | Crystal structure of dihydrodipicolinate synthase from methicillin-resistant Staphylococcus aureus | Descriptor: | CHLORIDE ION, Dihydrodipicolinate synthase, GLYCEROL | Authors: | Dobson, R.C.J, Burgess, B.R, Jameson, G.B, Gerrard, J.A, Parker, M.W, Perugini, M.A. | Deposit date: | 2008-05-29 | Release date: | 2008-08-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure and evolution of a novel dimeric enzyme from a clinically-important bacterial pathogen. J.Biol.Chem., 2008
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4HIX
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![BU of 4hix by Molmil](/molmil-images/mine/4hix) | |
4HSC
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![BU of 4hsc by Molmil](/molmil-images/mine/4hsc) | |
4ICN
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![BU of 4icn by Molmil](/molmil-images/mine/4icn) | Dihydrodipicolinate synthase from shewanella benthica | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIHYDRODIPICOLINATE SYNTHASE, ... | Authors: | Wubben, J.M, Paxman, J.J, Dogovski, C, Parker, M.W, Perugini, M.A. | Deposit date: | 2012-12-10 | Release date: | 2013-12-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Cold enzymology offers insight into molecular evolution in quaternary structure To be Published
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1OWT
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![BU of 1owt by Molmil](/molmil-images/mine/1owt) | Structure of the Alzheimer's disease amyloid precursor protein copper binding domain | Descriptor: | Amyloid beta A4 protein | Authors: | Barnham, K.J, McKinstry, W.J, Multhaup, G, Galatis, D, Morton, C.J, Curtain, C.C, Williamson, N.A, White, A.R, Hinds, M.G, Norton, R.S, Beyreuther, K, Masters, C.L, Parker, M.W, Cappai, R. | Deposit date: | 2003-03-30 | Release date: | 2003-05-13 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Structure of the Alzheimer's Disease Amyloid Precursor Protein Copper Binding Domain. A REGULATOR OF NEURONAL COPPER HOMEOSTASIS. J.Biol.Chem., 278, 2003
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6PDG
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![BU of 6pdg by Molmil](/molmil-images/mine/6pdg) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 83 | Descriptor: | 5-ethoxy-2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | Authors: | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | Deposit date: | 2019-06-18 | Release date: | 2020-04-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.919 Å) | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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6PDA
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![BU of 6pda by Molmil](/molmil-images/mine/6pda) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 74 | Descriptor: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyridin-2-yl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | Authors: | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | Deposit date: | 2019-06-18 | Release date: | 2020-04-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.448 Å) | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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6PDE
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![BU of 6pde by Molmil](/molmil-images/mine/6pde) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 40 | Descriptor: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-propoxybenzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | Authors: | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | Deposit date: | 2019-06-18 | Release date: | 2020-04-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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6PD9
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![BU of 6pd9 by Molmil](/molmil-images/mine/6pd9) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 60 | Descriptor: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(1H-pyrazol-1-yl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | Authors: | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | Deposit date: | 2019-06-18 | Release date: | 2020-04-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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6PDF
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![BU of 6pdf by Molmil](/molmil-images/mine/6pdf) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 55 | Descriptor: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(2H-1,2,3-triazol-2-yl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | Authors: | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | Deposit date: | 2019-06-18 | Release date: | 2020-04-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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1PX6
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![BU of 1px6 by Molmil](/molmil-images/mine/1px6) | A folding mutant of human class pi glutathione transferase, created by mutating aspartate 153 of the wild-type protein to asparagine | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, Glutathione S-transferase P | Authors: | Kong, G.K.-W, Polekhina, G, McKinstry, W.J, Parker, M.W, Dragani, B, Aceto, A, Paludi, D, Principe, D.R, Mannervik, B, Stenberg, G. | Deposit date: | 2003-07-02 | Release date: | 2003-07-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The multi-functional role of a highly conserved aspartic acid residue in glutathione transferase P1-1 To be Published
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6PDC
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![BU of 6pdc by Molmil](/molmil-images/mine/6pdc) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 42 | Descriptor: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(prop-2-en-1-yl)oxy]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | Authors: | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | Deposit date: | 2019-06-18 | Release date: | 2020-04-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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6PD8
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![BU of 6pd8 by Molmil](/molmil-images/mine/6pd8) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 39 | Descriptor: | 5-ethoxy-2-fluoro-3-methyl-N'-(phenylsulfonyl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | Authors: | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | Deposit date: | 2019-06-18 | Release date: | 2020-04-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.738 Å) | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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6PDB
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![BU of 6pdb by Molmil](/molmil-images/mine/6pdb) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 80 | Descriptor: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | Authors: | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | Deposit date: | 2019-06-18 | Release date: | 2020-04-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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6PDD
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![BU of 6pdd by Molmil](/molmil-images/mine/6pdd) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 41 | Descriptor: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | Authors: | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | Deposit date: | 2019-06-18 | Release date: | 2020-04-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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5UV8
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![BU of 5uv8 by Molmil](/molmil-images/mine/5uv8) | Interleukin-3 Receptor Complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Interleukin-3, ... | Authors: | Broughton, S.E, Parker, M.W. | Deposit date: | 2017-02-19 | Release date: | 2018-02-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A dual role for the N-terminal domain of the IL-3 receptor in cell signalling. Nat Commun, 9, 2018
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