4KLX
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4KNE
| Crystal structure of dihydrofolate reductase from Mycobacterium tuberculosis in complex with cycloguanil | Descriptor: | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, Dihydrofolate reductase | Authors: | Dias, M.V.B, Tyrakis, P, Blundell, T.L. | Deposit date: | 2013-05-09 | Release date: | 2013-12-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mycobacterium tuberculosis Dihydrofolate Reductase Reveals Two Conformational States and a Possible Low Affinity Mechanism to Antifolate Drugs. Structure, 22, 2014
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1URF
| HR1b domain from PRK1 | Descriptor: | PROTEIN KINASE C-LIKE 1 | Authors: | Owen, D, Lowe, P.N, Nietlispach, D, Brosnan, C.E, Chirgadze, D.Y, Parker, P.J, Blundell, T.L, Mott, H.R. | Deposit date: | 2003-10-29 | Release date: | 2003-11-06 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Molecular Dissection of the Interaction between the Small G Proteins Rac1 and Rhoa and Protein Kinase C-Related Kinase 1 (Prk1) J.Biol.Chem., 278, 2003
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1BLX
| P19INK4D/CDK6 COMPLEX | Descriptor: | CALCIUM ION, CYCLIN-DEPENDENT KINASE 6, P19INK4D | Authors: | Brotherton, D.H, Dhanaraj, V, Wick, S, Brizuela, L, Domaille, P.J, Volyanik, E, Xu, X, Parisini, E, Smith, B.O, Archer, S.J, Serrano, M, Brenner, S.L, Blundell, T.L, Laue, E.D. | Deposit date: | 1998-07-21 | Release date: | 1999-06-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the complex of the cyclin D-dependent kinase Cdk6 bound to the cell-cycle inhibitor p19INK4d. Nature, 395, 1998
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2HE0
| Crystal structure of a human Notch1 ankyrin domain mutant | Descriptor: | 1,2-ETHANEDIOL, Notch1 preproprotein variant | Authors: | Gupta, D, Ehebauer, M.T, Chirgadze, D.Y, Martinez Arias, A, Blundell, T.L. | Deposit date: | 2006-06-21 | Release date: | 2006-07-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of a human Notch1 ankyrin domain mutant TO BE PUBLISHED
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1XY1
| CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING | Descriptor: | BETA-MERCAPTOPROPIONATE-OXYTOCIN | Authors: | Husain, J, Blundell, T.L, Wood, S.P, Tickle, I.J, Cooper, S, Pitts, J.E. | Deposit date: | 1987-06-05 | Release date: | 1988-04-16 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Crystal structure analysis of deamino-oxytocin: conformational flexibility and receptor binding. Science, 232, 1986
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4KM2
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4CJM
| Crystal structure of human FGF18 | Descriptor: | FIBROBLAST GROWTH FACTOR 18, SULFATE ION | Authors: | Brown, A, Adam, L.E, Blundell, T.L. | Deposit date: | 2013-12-21 | Release date: | 2014-04-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The Crystal Structure of Fibroblast Growth Factor 18 (Fgf18) Protein Cell, 5, 2014
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1SAC
| THE STRUCTURE OF PENTAMERIC HUMAN SERUM AMYLOID P COMPONENT | Descriptor: | ACETIC ACID, CALCIUM ION, SERUM AMYLOID P COMPONENT | Authors: | White, H.E, Emsley, J, O'Hara, B.P, Oliva, G, Srinivasan, N, Tickle, I.J, Blundell, T.L, Pepys, M.B, Wood, S.P. | Deposit date: | 1994-01-27 | Release date: | 1994-05-31 | Last modified: | 2019-08-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of pentameric human serum amyloid P component. Nature, 367, 1994
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1KA1
| The PAPase Hal2p complexed with calcium and magnesium ions and reaction substrate: PAP | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, BETA-MERCAPTOETHANOL, CALCIUM ION, ... | Authors: | Patel, S, Albert, A, Blundell, T.L. | Deposit date: | 2001-10-31 | Release date: | 2001-11-07 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural enzymology of Li(+)-sensitive/Mg(2+)-dependent phosphatases. J.Mol.Biol., 320, 2002
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1KA0
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3KUW
| Structural basis of the activity ans substrate specificity of the fluoroacetyl-CoA thioesterase FlK - T42S mutant in complex with Fluoro-acetate | Descriptor: | Fluoroacetyl coenzyme A thioesterase, fluoroacetic acid | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | Deposit date: | 2009-11-27 | Release date: | 2010-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK. J.Biol.Chem., 285, 2010
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3KV7
| Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thioesterase FlK - wild type FlK in complex with acetate | Descriptor: | ACETATE ION, fluoroacetyl-CoA thioesterase FlK | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | Deposit date: | 2009-11-29 | Release date: | 2010-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK. J.Biol.Chem., 285, 2010
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3KVI
| Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thioesterase FlK - T42A mutant in complex with fluoro-acetate | Descriptor: | Fluoroacetyl-CoA thioesterase FlK, fluoroacetic acid | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | Deposit date: | 2009-11-30 | Release date: | 2010-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK. J.Biol.Chem., 285, 2010
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3KW1
| Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA FlK - Wild type FlK in complex with FAcOPan | Descriptor: | 2-({N-[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl fluoroacetate, Fluoroacetyl-CoA thioesterase | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | Deposit date: | 2009-11-30 | Release date: | 2010-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK. J.Biol.Chem., 285, 2010
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3KVZ
| Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thiesterase FlK - wild type FlK in complex with FAcCPan | Descriptor: | (2R)-N-{3-[(5-fluoro-4-oxopentyl)amino]-3-oxopropyl}-2,4-dihydroxy-3,3-dimethylbutanamide, Fluoroacetyl-CoA thioesterase FlK | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | Deposit date: | 2009-11-30 | Release date: | 2010-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK. J.Biol.Chem., 285, 2010
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1QIA
| CRYSTAL STRUCTURE OF STROMELYSIN CATALYTIC DOMAIN | Descriptor: | CALCIUM ION, STROMELYSIN-1, ZINC ION | Authors: | Williams, M.G, Ye, Q.-Z, Molina, F, Johnson, L.L, Ortwine, D.F, Pavlovsky, A.G, Rubin, J.R, Skeean, R.W, White, A.D, Blundell, T.L, Humblet, C, Hupe, D.J, Dhanaraj, V. | Deposit date: | 1999-06-11 | Release date: | 2003-02-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray structure of human stromelysin catalytic domain complexed with nonpeptide inhibitors: implications for inhibitor selectivity Protein Sci., 8, 1999
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3KX7
| Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA FlK - apo wild type FlK | Descriptor: | Fluoroacetyl-CoA thioesterase FlK | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | Deposit date: | 2009-12-02 | Release date: | 2010-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK. J.Biol.Chem., 285, 2010
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6QQX
| Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | Descriptor: | 5-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{H}-pyrazol-3-amine, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-19 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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6QR4
| Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | Descriptor: | 5-azanyl-3-[1-[[(2~{R})-1-methylpiperidin-2-yl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-19 | Release date: | 2019-09-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Development of Inhibitors against Mycobacterium abscessus tRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches. J.Med.Chem., 62, 2019
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6QR8
| Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | Descriptor: | 5-azanyl-3-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-19 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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6QRF
| Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | Descriptor: | (phenylmethyl) 1~{H}-pyrazole-4-carboxylate, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-19 | Release date: | 2019-09-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Development of Inhibitors againstMycobacterium abscessustRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches. J.Med.Chem., 62, 2019
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6QQV
| Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | Descriptor: | 2-[[6-(5-azanyl-1~{H}-pyrazol-3-yl)indol-1-yl]methyl]benzenecarbonitrile, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-19 | Release date: | 2019-09-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.712 Å) | Cite: | Development of Inhibitors againstMycobacterium abscessustRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches. J.Med.Chem., 62, 2019
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6QR5
| Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | Descriptor: | 3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazol-5-amine, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-19 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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6QR9
| Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | Descriptor: | 5-azanyl-3-[1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-19 | Release date: | 2019-09-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Development of Inhibitors againstMycobacterium abscessustRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches. J.Med.Chem., 62, 2019
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