6BA4
 
 | | Crystal structure of MYST acetyltransferase domain in complex with Acetyl-CoA cofactor | | Descriptor: | ACETYL COENZYME *A, Histone acetyltransferase KAT8, S-{(3S,5R,9R)-1-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} ethanethioate, ... | | Authors: | Hermans, S.J, Chung, M.C, Peat, T.S, Baell, J.B, Thomas, T, Parker, M.W. | | Deposit date: | 2017-10-12 | | Release date: | 2018-08-01 | | Last modified: | 2020-01-08 | | Method: | X-RAY DIFFRACTION (1.949 Å) | | Cite: | Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth.
Nature, 560, 2018
|
|
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
|
|
6D49
 | | Cell Surface Receptor in Complex with Ligand at 1.80-A Resolution | | Descriptor: | 2-aminoethyl 5-{[(4-cyclohexyl-1H-1,2,3-triazol-1-yl)acetyl]amino}-3,5,9-trideoxy-9-[(4-hydroxy-3,5-dimethylbenzene-1-carbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside, GLYCEROL, 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 (1.801 Å) | | Cite: | Small Molecule Binding to Alzheimer Risk Factor CD33 Promotes A beta Phagocytosis.
Iscience, 19, 2019
|
|
6D4A
 | | Cell Surface Receptor with Bound Ligand at 1.75-A Resolution | | Descriptor: | 2-aminoethyl 5-{[(4-cyclohexyl-1H-1,2,3-triazol-1-yl)acetyl]amino}-3,5,9-trideoxy-9-[(4-hydroxy-3,5-dimethylbenzene-1-carbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside, GLYCEROL, 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 (1.751 Å) | | Cite: | Small Molecule Binding to Alzheimer Risk Factor CD33 Promotes A beta Phagocytosis.
Iscience, 19, 2019
|
|
4PJ6
 | | Crystal Structure of Human Insulin Regulated Aminopeptidase with Lysine in Active Site | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LYSINE, ... | | Authors: | Hermans, S.J, Ascher, D.B, Hancock, N.C, Holien, J.K, Michell, B, Morton, C.J, Parker, M.W. | | Deposit date: | 2014-05-12 | | Release date: | 2014-12-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.96 Å) | | Cite: | Crystal structure of human insulin-regulated aminopeptidase with specificity for cyclic peptides.
Protein Sci., 24, 2015
|
|
4JZJ
 | | Crystal Structure of Receptor-Fab Complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab Heavy Chain, Fab Light Chain, ... | | Authors: | Broughton, S.E, Parker, M.W. | | Deposit date: | 2013-04-03 | | Release date: | 2014-04-09 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.801 Å) | | Cite: | Dual mechanism of interleukin-3 receptor blockade by an anti-cancer antibody
Cell Rep, 8, 2014
|
|
4XXD
 | | Crystal Structure of mid-region amyloid beta capture by solanezumab | | Descriptor: | Amyloid-beta fragment, Fab Heavy Chain, Fab Light Chain | | Authors: | Hermans, S.J, Crespi, G.A.N, Parker, M.W, Miles, L.A. | | Deposit date: | 2015-01-30 | | Release date: | 2015-04-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Molecular basis for mid-region amyloid-beta capture by leading Alzheimer's disease immunotherapies.
Sci Rep, 5, 2015
|
|
4YEF
 | | beta1 carbohydrate binding module (CBM) of AMP-activated protein kinase (AMPK) in complex with glucosyl-beta-cyclododextrin | | Descriptor: | 5'-AMP-activated protein kinase subunit beta-1, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), GLYCEROL, ... | | Authors: | Mobbs, J, Gorman, M.A, Parker, M.W, Gooley, P.R, Griffin, M. | | Deposit date: | 2015-02-24 | | Release date: | 2015-06-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Determinants of oligosaccharide specificity of the carbohydrate-binding modules of AMP-activated protein kinase.
Biochem.J., 468, 2015
|
|
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
|
|
4YEE
 | | beta2 carbohydrate binding module (CBM) of AMP-activated protein kinase (AMPK) in complex with glucosyl-beta-cyclodextrin | | Descriptor: | 5'-AMP-activated protein kinase subunit beta-2, Cyclic alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-[alpha-D-glucopyranose-(1-6)]alpha-D-glucopyranose, GLYCEROL | | Authors: | Mobbs, J, Gorman, M.A, Parker, M.W, Gooley, P.R, Griffin, M. | | Deposit date: | 2015-02-24 | | Release date: | 2015-04-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Determinants of oligosaccharide specificity of the carbohydrate-binding modules of AMP-activated protein kinase.
Biochem.J., 468, 2015
|
|
13GS
 | | GLUTATHIONE S-TRANSFERASE COMPLEXED WITH SULFASALAZINE | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID, GLUTATHIONE, ... | | Authors: | Oakley, A.J, Lo Bello, M, Parker, M.W. | | Deposit date: | 1997-11-20 | | 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
|
|
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
|
|
16GS
 | | GLUTATHIONE S-TRANSFERASE P1-1 APO FORM 3 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE, SULFATE ION | | Authors: | Oakley, A.J, Lo Bello, M, Ricci, G, Federici, G, Parker, M.W. | | Deposit date: | 1997-11-30 | | Release date: | 1999-01-13 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Evidence for an induced-fit mechanism operating in pi class glutathione transferases.
Biochemistry, 37, 1998
|
|
11GS
 | | Glutathione s-transferase complexed with ethacrynic acid-glutathione conjugate (form ii) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ETHACRYNIC ACID, GLUTATHIONE, ... | | Authors: | Oakley, A.J, Lo Bello, M, Mazzetti, A.P, Federici, G, Parker, M.W. | | Deposit date: | 1997-11-03 | | Release date: | 1999-01-13 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The glutathione conjugate of ethacrynic acid can bind to human pi class glutathione transferase P1-1 in two different modes.
FEBS Lett., 419, 1997
|
|
14GS
 | | GLUTATHIONE S-TRANSFERASE P1-1 APO FORM 1 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE | | Authors: | Oakley, A.J, Lo Bello, M, Ricci, G, Federici, G, Parker, M.W. | | Deposit date: | 1997-11-29 | | Release date: | 1999-01-13 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Evidence for an induced-fit mechanism operating in pi class glutathione transferases.
Biochemistry, 37, 1998
|
|
17GS
 | | GLUTATHIONE S-TRANSFERASE P1-1 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE, S-HEXYLGLUTATHIONE | | Authors: | Oakley, A.J, Lo Bello, M, Parker, M.W. | | Deposit date: | 1997-12-07 | | Release date: | 1998-12-30 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Glutathione S-transferase P1-1
To be published
|
|
1D5S
 | | CRYSTAL STRUCTURE OF CLEAVED ANTITRYPSIN POLYMER | | Descriptor: | P1-ARG ANTITRYPSIN | | Authors: | Dunstone, M.A, Dai, W, Whisstock, J.C, Rossjohn, J, Pike, R.N, Feil, S.C, Le Bonneic, B.F, Parker, M.W, Bottomley, S.P. | | Deposit date: | 1999-10-11 | | Release date: | 2000-04-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Cleaved antitrypsin polymers at atomic resolution.
Protein Sci., 9, 2000
|
|
1EGJ
 | | DOMAIN 4 OF THE BETA COMMON CHAIN IN COMPLEX WITH AN ANTIBODY | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY (HEAVY CHAIN), ANTIBODY (LIGHT CHAIN), ... | | Authors: | Rossjohn, J, McKinstry, W.J, Woodcock, J.M, McClure, B.J, Hercus, T.R, Parker, M.W, Lopez, A.F, Bagley, C.J. | | Deposit date: | 2000-02-15 | | Release date: | 2001-02-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of the activation domain of the GM-CSF/IL-3/IL-5 receptor common beta-chain bound to an antagonist.
Blood, 95, 2000
|
|
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
|
|
1EOH
 | | GLUTATHIONE TRANSFERASE P1-1 | | Descriptor: | GLUTATHIONE S-TRANSFERASE | | Authors: | Rossjohn, J, McKinstry, W.J, Oakley, A.J, Parker, M.W, Stenberg, G, Mannervik, B, Dragani, B, Cocco, R, Aceto, A. | | Deposit date: | 2000-03-22 | | Release date: | 2000-10-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of thermolabile mutants of human glutathione transferase P1-1.
J.Mol.Biol., 302, 2000
|
|
1EOG
 | | CRYSTAL STRUCTURE OF PI CLASS GLUTATHIONE TRANSFERASE | | Descriptor: | GLUTATHIONE S-TRANSFERASE | | Authors: | Rossjohn, J, McKinstry, W.J, Oakley, A.J, Parker, M.W, Stenberg, G, Mannervik, B, Dragani, B, Cocco, R, Aceto, A. | | Deposit date: | 2000-03-22 | | Release date: | 2000-10-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structures of thermolabile mutants of human glutathione transferase P1-1.
J.Mol.Biol., 302, 2000
|
|
3VQ5
 | | HIV-1 IN core domain in complex with N-METHYL-1-(4-METHYL-2-PHENYL-1,3-THIAZOL-5-YL)METHANAMINE | | Descriptor: | CADMIUM ION, CHLORIDE ION, N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine, ... | | Authors: | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | | Deposit date: | 2012-03-20 | | Release date: | 2013-01-30 | | Last modified: | 2023-11-08 | | 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
|
|
3VQ4
 | | Fragments bound to HIV-1 integrase | | Descriptor: | (5-phenyl-1,2-oxazol-3-yl)methanol, CADMIUM ION, POL polyprotein, ... | | Authors: | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | | Deposit date: | 2012-03-20 | | Release date: | 2013-01-30 | | Last modified: | 2023-11-08 | | 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
|
|
3VQ6
 | | HIV-1 IN core domain in complex with (1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol | | Descriptor: | (1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol, CADMIUM ION, POL polyprotein, ... | | Authors: | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | | Deposit date: | 2012-03-20 | | Release date: | 2013-01-30 | | Last modified: | 2023-11-08 | | 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
|
|
3VQC
 | | HIV-1 IN core domain in complex with (5-METHYL-3-PHENYL-1,2-OXAZOL-4-YL)METHANOL | | Descriptor: | (5-methyl-3-phenyl-1,2-oxazol-4-yl)methanol, CADMIUM ION, POL polyprotein, ... | | Authors: | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | | Deposit date: | 2012-03-21 | | Release date: | 2013-01-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
|
|
