4ZHX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
1Z0M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
1Z0N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1z0n by Molmil](/molmil-images/mine/1z0n) | the glycogen-binding domain of the AMP-activated protein kinase | 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: | 2021-11-10 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structural Basis for Glycogen Recognition by AMP-Activated Protein Kinase. Structure, 13, 2005
|
|
4HIX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hix by Molmil](/molmil-images/mine/4hix) | |
3DAQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
1OQO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1oqo by Molmil](/molmil-images/mine/1oqo) | Complex between G0 version of an Fc bound to a minimized version of Protein A called Mini-Z | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Minimized version of Protein A (Z34C), ... | Authors: | Raju, T.S, Mulkerrin, M.G, Parker, M, De Vos, A.M, Gazzano-Santoro, H, Totpal, K, Ultsch, M.H. | Deposit date: | 2003-03-10 | Release date: | 2003-03-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Impact of Fc Glycans on The Effector
Functions Vary with the Antibody
mechanism of Action To be Published
|
|
1OQX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1oqx by Molmil](/molmil-images/mine/1oqx) | G-2 glycovariant of human IgG Fc bound to minimized version of Protein A called Z34C | Descriptor: | Protein A Z34C, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-3)-[beta-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Raju, T.S, Mulkerrin, M.G, Parker, M, De Vos, A.M, Gazzano-Santoro, H, Totpal, K, Ultsch, M.H. | Deposit date: | 2003-03-11 | Release date: | 2003-03-25 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Impact of Fc Glycans on The Effector Functions Vary
with the Antibody mechanism of Action To be Published
|
|
3L3V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
3L3U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
3GSS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gss by Molmil](/molmil-images/mine/3gss) | HUMAN GLUTATHIONE S-TRANSFERASE P1-1 IN COMPLEX WITH ETHACRYNIC ACID-GLUTATHIONE CONJUGATE | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ETHACRYNIC ACID, GLUTATHIONE, ... | Authors: | Oakley, A.J, Rossjohn, J, Parker, M.W. | Deposit date: | 1996-10-29 | Release date: | 1997-11-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The three-dimensional structure of the human Pi class glutathione transferase P1-1 in complex with the inhibitor ethacrynic acid and its glutathione conjugate. Biochemistry, 36, 1997
|
|
3OVN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
3HA4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ha4 by Molmil](/molmil-images/mine/3ha4) | |
3FFD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
3BKC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
4OGB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
3BKJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3bkj by Molmil](/molmil-images/mine/3bkj) | Crystal structure of Fab wo2 bound to the n terminal domain of amyloid beta peptide (1-16) | 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, 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 (1.59 Å) | Cite: | Amyloid-beta-anti-amyloid-beta complex structure reveals an extended conformation in the immunodominant B-cell epitope. J.Mol.Biol., 377, 2008
|
|
3AKM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
3AO5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
3BKM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3bkm by Molmil](/molmil-images/mine/3bkm) | Structure of anti-amyloid-beta Fab WO2 (Form A, P212121) | 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: | 2007-12-07 | Release date: | 2008-04-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Amyloid-beta-anti-amyloid-beta complex structure reveals an extended conformation in the immunodominant B-cell epitope. J.Mol.Biol., 377, 2008
|
|
3TZR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tzr by Molmil](/molmil-images/mine/3tzr) | Structure of a Riboswitch-like RNA-ligand complex from the Hepatitis C Virus Internal Ribosome Entry Site | Descriptor: | (8R)-8-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-1,7,8,9-tetrahydrochromeno[5,6-d]imidazol-2-amine, 5'-R(*CP*GP*AP*GP*GP*AP*AP*CP*UP*AP*CP*UP*GP*UP*CP*UP*UP*CP*CP*C)-3', 5'-R(*GP*GP*UP*CP*GP*UP*GP*CP*AP*GP*CP*CP*UP*CP*GP*G)-3', ... | Authors: | Dibrov, S.M, Ding, K, Brunn, N, Parker, M.A, Bergdahl, B.M, Wyles, D.L, Hermann, T. | Deposit date: | 2011-09-27 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.212 Å) | Cite: | Structure of a Riboswitch in the Hepatitis C Virus Internal Ribosome Entry Site To be Published
|
|
4ONI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4oni by Molmil](/molmil-images/mine/4oni) | |
3AO4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
3AO3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
3AO2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
3AKN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3akn by Molmil](/molmil-images/mine/3akn) | |