1G27
| CRYSTAL STRUCTURE OF E.COLI POLYPEPTIDE DEFORMYLASE COMPLEXED WITH THE INHIBITOR BB-3497 | Descriptor: | 2-[(FORMYL-HYDROXY-AMINO)-METHYL]-HEXANOIC ACID (1-DIMETHYLCARBAMOYL-2,2-DIMETHYL-PROPYL)-AMIDE, NICKEL (II) ION, POLYPEPTIDE DEFORMYLASE | Authors: | Clements, J.M, Beckett, P, Brown, A, Catlin, C, Lobell, M, Palan, S, Thomas, W, Whittaker, M, Baker, P.J, Rodgers, H.F, Barynin, V, Rice, D.W, Hunter, M.G. | Deposit date: | 2000-10-17 | Release date: | 2001-10-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Antibiotic activity and characterization of BB-3497, a novel peptide deformylase inhibitor. Antimicrob.Agents Chemother., 45, 2001
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1G2A
| THE CRYSTAL STRUCTURE OF E.COLI PEPTIDE DEFORMYLASE COMPLEXED WITH ACTINONIN | Descriptor: | ACTINONIN, NICKEL (II) ION, POLYPEPTIDE DEFORMYLASE | Authors: | Clements, J.M, Beckett, P, Brown, A, Catlin, C, Lobell, M, Palan, S, Thomas, W, Whittaker, M, Baker, P.J, Rodgers, H.F, Barynin, V, Rice, D.W, Hunter, M.G. | Deposit date: | 2000-10-18 | Release date: | 2001-10-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Antibiotic activity and characterization of BB-3497, a novel peptide deformylase inhibitor. Antimicrob.Agents Chemother., 45, 2001
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3FXW
| High resolution crystal structure of mitogen-activated protein kinase-activated protein kinase 3/inhibitor 2 complex | Descriptor: | 2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MAP kinase-activated protein kinase 3 | Authors: | Cheng, R.K.Y, Barker, J, Palan, S, Felicetti, B, Whittaker, M, Hesterkamp, T. | Deposit date: | 2009-01-21 | Release date: | 2010-01-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High resolution crystal structure of mitogen-activated protein kinase-activated protein kinase 3/inhibitor 2 complex To be Published
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3FHR
| High resolution crystal structure of mitogen-activated protein kinase-activated protein kinase 3 (MK3)-inhibitor complex | Descriptor: | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MAP kinase-activated protein kinase 3 | Authors: | Cheng, R.K.Y, Barker, J, Palan, S, Felicetti, B, Whittaker, M, Hesterkamp, T. | Deposit date: | 2008-12-10 | Release date: | 2009-12-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High-resolution crystal structure of human Mapkap kinase 3 in complex with a high affinity ligand Protein Sci., 19, 2010
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3IAK
| Crystal structure of human phosphodiesterase 4d (PDE4d) with papaverine. | Descriptor: | 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE, MAGNESIUM ION, ZINC ION, ... | Authors: | Cheng, R.K.Y, Crawley, L, Barker, J, Wood, M, Felicetti, B, Whittaker, M. | Deposit date: | 2009-07-14 | Release date: | 2009-09-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of human phosphodiesterase 4d (PDE4d) with papaverine. To be Published
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3I8V
| Crystal structure of human PDE4a with 4-(3-butoxy-4-methoxyphenyl)methyl-2-imidazolidone | Descriptor: | (4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one, COBALT (II) ION, GLYCEROL, ... | Authors: | Cheng, R.K.Y, Crawley, L, Barker, J, Wood, M, Felicetti, B, Whittaker, M. | Deposit date: | 2009-07-10 | Release date: | 2009-07-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of human PDE4a with 4-(3-butoxy-4-methoxyphenyl)methyl-2-imidazolidone To be Published
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3K6L
| The structure of E.coli peptide deformylase (PDF) in complex with peptidomimetic ligand BB2827 | Descriptor: | (2S,3R)-N~4~-[(1S)-1-(dimethylcarbamoyl)-2,2-dimethylpropyl]-N~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide, NICKEL (II) ION, Peptide deformylase | Authors: | Cheng, R.K.Y, Crawley, L, Wood, M, Barker, J, Felicetti, B, Whittaker, M. | Deposit date: | 2009-10-09 | Release date: | 2009-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The structure of E.coli peptide deformylase (PDF) in complex with peptidomimetic ligand BB2827 To be Published
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3K4S
| The structure of the catalytic domain of human PDE4d with 4-(3-Butoxy-4-methoxyphenyl)methyl-2-imidazolidone | Descriptor: | (4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Crawley, L, Cheng, R.K.Y, Wood, M, Barker, J, Felicetti, B, Whittaker, M. | Deposit date: | 2009-10-06 | Release date: | 2009-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The structure of the catalytic domain of human PDE4d with 4-(3-Butoxy-4-methoxyphenyl)methyl-2-imidazolidone To be Published
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3K5E
| The structure of human kinesin-like motor protein Kif11/KSP/Eg5 in complex with ADP and enastrol. | Descriptor: | (4S,5R)-5-hydroxy-4-(3-hydroxyphenyl)-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... | Authors: | Crawley, L, Cheng, R.K.Y, Wood, M, Barker, J, Felicetti, B, Whittaker, M. | Deposit date: | 2009-10-07 | Release date: | 2009-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | The structure of human kinesin-like motor protein Kif11/KSP/Eg5 in complex with ADP and enastrol. To be Published
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2WEY
| Human PDE-papaverine complex obtained by ligand soaking of cross- linked protein crystals | Descriptor: | 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE, ... | Authors: | Andersen, O.A, Schonfeld, D.L, Toogood-Johnson, I, Felicetti, B, Albrecht, C, Fryatt, T, Whittaker, M, Hallett, D, Barker, J. | Deposit date: | 2009-04-02 | Release date: | 2009-07-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Cross-Linking of Protein Crystals as an Aid in the Generation of Binary Protein-Ligand Crystal Complexes, Exemplified by the Human Pde10A-Papaverine Structure. Acta Crystallogr.,Sect.D, 65, 2009
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3HYZ
| Crystal structure of Hsp90 with fragment 42-C03 | Descriptor: | Heat shock protein HSP 90-alpha, N,N-dimethyl-7H-purin-6-amine | Authors: | Barker, J, Mather, O, Cheng, R.K.Y, Palan, S, Felicetti, B, Whittaker, M. | Deposit date: | 2009-06-23 | Release date: | 2010-07-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of Hsp90 with fragment 42-C03 TO BE PUBLISHED
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3HZ5
| Crystal structure of Hsp90 with fragment Z064 | Descriptor: | Heat shock protein HSP 90-alpha, N-[4-(5-furan-2-yl-3-methyl-1H-pyrazol-4-yl)butyl]-N-methyl-7H-purin-6-amine | Authors: | Barker, J, Mather, O, Cheng, R.K.Y, Palan, S, Felicetti, B, Whittaker, M. | Deposit date: | 2009-06-23 | Release date: | 2010-07-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of Hsp90 with fragment Z064 to be published
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3KKT
| Crystal structure of human PDE4b with 5-[3-[(1S,2S,4R)-Bicyclo[2.2.1]hept-2-yloxy]-4-methoxyp henyl]tetrahydro-2(1H)-pyrimidinone reveals ordering of the C-terminal helix residues 502-509. | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-{3-[(1S,2S,4R)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl}tetrahydropyrimidin-2(1H)-one, MAGNESIUM ION, ... | Authors: | Cheng, R.K.Y, Crawley, L, Barker, J, Whittaker, M. | Deposit date: | 2009-11-06 | Release date: | 2009-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Crystal structure of human PDE4b with 5-[3-[(1S,2S,4R)-Bicyclo[2.2.1]hept-2-yloxy]-4-methoxyp henyl]tetrahydro-2(1H)-pyrimidinone reveals ordering of the C-terminal helix residues 502-509. To be Published
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3KQ7
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3HZ1
| Crystal structure of Hsp90 with fragments 37-D04 and 42-C03 | Descriptor: | Heat shock protein HSP 90-alpha, N,N-dimethyl-7H-purin-6-amine, methyl 5-furan-2-yl-3-methyl-1H-pyrazole-4-carboxylate | Authors: | Barker, J, Mather, O, Cheng, R.K.Y, Palan, S, Felicetti, B, Whittaker, M. | Deposit date: | 2009-06-23 | Release date: | 2010-07-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of Hsp90 with fragments 37-D04 and 42-C03 TO BE PUBLISHED
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3HYY
| Crystal structure of Hsp90 with fragment 37-D04 | Descriptor: | Heat shock protein HSP 90-alpha, methyl 5-furan-2-yl-3-methyl-1H-pyrazole-4-carboxylate | Authors: | Barker, J, Mather, O, Cheng, R.K.Y, Palan, S, Felicetti, B, Whittaker, M. | Deposit date: | 2009-06-23 | Release date: | 2010-07-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of Hsp90 with fragment 37-D04 TO BE PUBLISHED
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3FT8
| Structure of HSP90 bound with a noval fragment. | Descriptor: | (5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime, Heat shock protein HSP 90-alpha | Authors: | Barker, J.B, Cheng, R.K.Y, Palan, S, Felicetti, B. | Deposit date: | 2009-01-12 | Release date: | 2009-06-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment-based identification of Hsp90 inhibitors. Chemmedchem, 4, 2009
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3FT5
| Structure of HSP90 bound with a novel fragment | Descriptor: | 4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine, Heat shock protein HSP 90-alpha | Authors: | Barker, J.B, Mather, O, Cheng, R.K.Y, Palan, S, Felicetti, B. | Deposit date: | 2009-01-12 | Release date: | 2009-05-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment-based Identification of Hsp90 Inhibitors. Chemmedchem, 4, 2009
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