1Z0M
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![BU of 1z0m by Molmil](/molmil-images/mine/1z0m) | the glycogen-binding domain of the AMP-activated protein kinase beta1 subunit | Descriptor: | 5'-AMP-activated protein kinase, beta-1 subunit, Cycloheptakis-(1-4)-(alpha-D-glucopyranose) | Authors: | Polekhina, G, Gupta, A, van Denderen, B.J, Feil, S.C, Kemp, B.E, Stapleton, D, Parker, M.W. | Deposit date: | 2005-03-02 | Release date: | 2005-10-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Structural Basis for Glycogen Recognition by AMP-Activated Protein Kinase. Structure, 13, 2005
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5KMX
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![BU of 5kmx by Molmil](/molmil-images/mine/5kmx) | Structure of Trypanosoma congolense Insect Stage Antigen | Descriptor: | GLYCEROL, Putative uncharacterized protein TCIL3000_10_9440, SULFATE ION | Authors: | Ramaswamy, R, Parker, M.L, Boulanger, M.J. | Deposit date: | 2016-06-27 | Release date: | 2017-07-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.452 Å) | Cite: | Structural characterization reveals a novel bilobed architecture for the ectodomains of insect stage expressed Trypanosoma brucei PSSA-2 and Trypanosoma congolense ISA. Protein Sci., 25, 2016
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6D48
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![BU of 6d48 by Molmil](/molmil-images/mine/6d48) | Cell Surface Receptor | Descriptor: | Myeloid cell surface antigen CD33 | Authors: | Hermans, S.J, Miles, L.A, Parker, M.W. | Deposit date: | 2018-04-17 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.776 Å) | Cite: | Small Molecule Binding to Alzheimer Risk Factor CD33 Promotes A beta Phagocytosis. Iscience, 19, 2019
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4ZHX
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![BU of 4zhx by Molmil](/molmil-images/mine/4zhx) | Novel binding site for allosteric activation of AMPK | Descriptor: | (5S,6R,7R,9R,13cR,14R,16aS)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5H,13cH-5,9-epoxy-4b,9a,1 5-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol, 3-[4-(2-hydroxyphenyl)phenyl]-4-oxidanyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile, 5'-AMP-activated protein kinase catalytic subunit alpha-2, ... | Authors: | Langendorf, C.G, Ngoei, K.R, Issa, S.M.A, Ling, N, Gorman, M.A, Parker, M.W, Sakamoto, K, Scott, J.W, Oakhill, J.S, Kemp, B.E. | Deposit date: | 2015-04-27 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Structural basis of allosteric and synergistic activation of AMPK by furan-2-phosphonic derivative C2 binding. Nat Commun, 7, 2016
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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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3OVN
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![BU of 3ovn by Molmil](/molmil-images/mine/3ovn) | Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase | Descriptor: | 1-methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine, CADMIUM ION, POL polyprotein, ... | Authors: | Wielens, J, Chalmers, D.K, Headey, S.J, Deadman, J.J, Rhodes, D.K, Parker, M.W, Scanlon, M.J. | Deposit date: | 2010-09-16 | 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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4AH9
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![BU of 4ah9 by Molmil](/molmil-images/mine/4ah9) | Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | Descriptor: | 1,2-ETHANEDIOL, 1-(3-PHENYL-1,2,4-THIADIAZOL-5-YL)-1,4-DIAZEPANE, CHLORIDE ION, ... | Authors: | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | Deposit date: | 2012-02-06 | Release date: | 2012-12-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification? J.Biomol.Screen, 18, 2013
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4OJF
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![BU of 4ojf by Molmil](/molmil-images/mine/4ojf) | Humanised 3D6 Fab complexed to amyloid beta 1-8 | Descriptor: | Amyloid beta A4 protein, Humanised 3D6 Fab Heavy Chain, Humanised 3D6 Fab Light Chain | Authors: | Miles, L.A, Crespi, G.A.N, Parker, M.W. | Deposit date: | 2014-01-21 | Release date: | 2015-01-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Crystallization and preliminary X-ray diffraction analysis of the Fab portion of the Alzheimer's disease immunotherapy candidate bapineuzumab complexed with amyloid-beta ACTA CRYSTALLOGR.,SECT.F, 70, 2014
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2FK2
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![BU of 2fk2 by Molmil](/molmil-images/mine/2fk2) | |
2FK1
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![BU of 2fk1 by Molmil](/molmil-images/mine/2fk1) | |
2FKL
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![BU of 2fkl by Molmil](/molmil-images/mine/2fkl) | |
2FJZ
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![BU of 2fjz by Molmil](/molmil-images/mine/2fjz) | |
4ONI
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![BU of 4oni by Molmil](/molmil-images/mine/4oni) | |
3L3V
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![BU of 3l3v by Molmil](/molmil-images/mine/3l3v) | Structure of HIV-1 integrase core domain in complex with sucrose | Descriptor: | CADMIUM ION, POL polyprotein, SULFATE ION, ... | Authors: | Wielens, J, Chalmers, D.K, Scanlon, M.J, Parker, M.W. | Deposit date: | 2009-12-18 | Release date: | 2010-03-31 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the HIV-1 integrase core domain in complex with sucrose reveals details of an allosteric inhibitory binding site Febs Lett., 584, 2010
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3L3U
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![BU of 3l3u by Molmil](/molmil-images/mine/3l3u) | Crystal structure of the HIV-1 integrase core domain to 1.4A | Descriptor: | POL polyprotein, SULFATE ION | Authors: | Wielens, J, Chalmers, D.K, Scanlon, M.J, Parker, M.W. | Deposit date: | 2009-12-17 | Release date: | 2010-03-31 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of the HIV-1 integrase core domain in complex with sucrose reveals details of an allosteric inhibitory binding site. Febs Lett., 584, 2010
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4HSC
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![BU of 4hsc by Molmil](/molmil-images/mine/4hsc) | |
2HGS
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![BU of 2hgs by Molmil](/molmil-images/mine/2hgs) | HUMAN GLUTATHIONE SYNTHETASE | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLUTATHIONE, MAGNESIUM ION, ... | Authors: | Polekhina, G, Board, P, Rossjohn, J, Parker, M.W. | Deposit date: | 1999-01-04 | Release date: | 1999-06-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular basis of glutathione synthetase deficiency and a rare gene permutation event. EMBO J., 18, 1999
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3AKM
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![BU of 3akm by Molmil](/molmil-images/mine/3akm) | X-ray structure of iFABP from human and rat with bound fluorescent fatty acid analogue | Descriptor: | 11-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)undecanoic acid, Fatty acid-binding protein, intestinal, ... | Authors: | Wielens, J, Laguerre, A.J.K, Parker, M.W, Scanlon, M.J. | Deposit date: | 2010-07-14 | Release date: | 2011-07-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of human and rat intestinal fatty acid binding proteins in complex with 11-(Dansylamino)undecanoic acid To be Published
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4AHT
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![BU of 4aht by Molmil](/molmil-images/mine/4aht) | Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | Descriptor: | 1,2-ETHANEDIOL, 1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ... | Authors: | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | Deposit date: | 2012-02-07 | Release date: | 2012-12-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification? J.Biomol.Screen, 18, 2013
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4AHR
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![BU of 4ahr by Molmil](/molmil-images/mine/4ahr) | Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | Descriptor: | 3-(1,3-benzodioxol-5-yl)propanoic acid, ACETIC ACID, GLYCEROL, ... | Authors: | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | Deposit date: | 2012-02-07 | Release date: | 2012-12-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification? J.Biomol.Screen, 18, 2013
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4AHU
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![BU of 4ahu by Molmil](/molmil-images/mine/4ahu) | Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | Descriptor: | 1,2-ETHANEDIOL, 1H-INDOLE-3-CARBOXYLIC ACID, ACETIC ACID, ... | Authors: | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | Deposit date: | 2012-02-07 | Release date: | 2012-12-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification? J.Biomol.Screen, 18, 2013
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4AHS
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![BU of 4ahs by Molmil](/molmil-images/mine/4ahs) | Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | Descriptor: | 1,2-ETHANEDIOL, 1-BENZOFURAN-7-CARBOXYLIC ACID, ACETATE ION, ... | Authors: | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | Deposit date: | 2012-02-07 | Release date: | 2012-12-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification? J.Biomol.Screen, 18, 2013
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18GS
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![BU of 18gs by Molmil](/molmil-images/mine/18gs) | GLUTATHIONE S-TRANSFERASE P1-1 COMPLEXED WITH 1-(S-GLUTATHIONYL)-2,4-DINITROBENZENE | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-(2,4 DINITROBENZENE), GLUTATHIONE S-TRANSFERASE | Authors: | Oakley, A.J, Lo Bello, M, Ricci, G, Federici, G, Parker, M.W. | Deposit date: | 1997-12-07 | Release date: | 1999-01-13 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The ligandin (non-substrate) binding site of human Pi class glutathione transferase is located in the electrophile binding site (H-site). J.Mol.Biol., 291, 1999
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4OGB
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![BU of 4ogb by Molmil](/molmil-images/mine/4ogb) | Crystal structure of the catalytic domain of PDE4D2 with compound 2 | Descriptor: | (2R)-8-(3,4-dimethoxyphenyl)-6-methyl-2-(tetrahydro-2H-pyran-4-yl)-2H-chromen-4-ol, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Feil, S.C, Parker, M.W. | Deposit date: | 2014-01-15 | Release date: | 2015-01-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.032 Å) | Cite: | The PDE inhibition profile of LY294002 and tetrahydropyranyl analogues reveals a chromone motif for the development of PDE inhibitors To be Published
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12GS
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![BU of 12gs by Molmil](/molmil-images/mine/12gs) | GLUTATHIONE S-TRANSFERASE COMPLEXED WITH S-NONYL-GLUTATHIONE | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE, L-gamma-glutamyl-S-nonyl-L-cysteinylglycine | Authors: | Oakley, A.J, Lo Bello, M, Parker, M.W. | Deposit date: | 1997-11-19 | Release date: | 1999-01-13 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Ligandin (Non-Substrate) Binding Site of Human Pi Class Glutathione Transferase is Located in the Electrophile Binding Site (H-Site). J.Mol.Biol., 291, 1999
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