3IOB
| Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.80 Ang resolution in complex with 5'-deoxy-5'-thioadenosine | Descriptor: | 5'-thioadenosine, ETHANOL, GLYCEROL, ... | Authors: | Ciulli, A, Scott, D.E, Abell, C. | Deposit date: | 2009-08-14 | Release date: | 2009-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Fragment-Based Approach to Probing Adenosine Recognition Sites by Using Dynamic Combinatorial Chemistry Chembiochem, 10, 2009
|
|
3IOD
| Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.75 Ang resolution in complex with 5'-deoxy-5'-((3-nitrobenzyl)disulfanyl)-adenosine | Descriptor: | (2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-{[(3-nitrobenzyl)disulfanyl]methyl}tetrahydrofuran-3,4-diol, ETHANOL, GLYCEROL, ... | Authors: | Ciulli, A, Scott, D.E, Abell, C. | Deposit date: | 2009-08-14 | Release date: | 2009-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A Fragment-Based Approach to Probing Adenosine Recognition Sites by Using Dynamic Combinatorial Chemistry Chembiochem, 10, 2009
|
|
8C15
| Aurora A kinase in complex with TPX2-inhibitor 3 | Descriptor: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-1~{H}-indole-6-carboxylic acid, ACETATE ION, ... | Authors: | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | Deposit date: | 2022-12-20 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agents To be published
|
|
7KWA
| Structure of DCN1 bound to N-((4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-3-(trifluoromethyl)benzamide | Descriptor: | Endolysin,DCN1-like protein 1, N-[(4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide | Authors: | Kim, H.S, Hammill, J.T, Schulman, B.A, Guy, R.K, Scott, D.C. | Deposit date: | 2020-11-30 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.572 Å) | Cite: | Improvement of Oral Bioavailability of Pyrazolo-Pyridone Inhibitors of the Interaction of DCN1/2 and UBE2M. J.Med.Chem., 64, 2021
|
|
1LIJ
| STRUCTURE OF T. GONDII ADENOSINE KINASE BOUND TO PRODRUG 2 7-IODOTUBERCIDIN AND AMP-PCP | Descriptor: | 2-RIBOFURANOSYL-3-IODO-2,3-DIHYDRO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Schumacher, M.A, Scott, D.M, Mathews, I.I, Ealick, S.E, Roos, D.S, Ullman, B, Brennan, R.G. | Deposit date: | 2002-04-17 | Release date: | 2002-05-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Crystal structures of Toxoplasma gondii adenosine kinase reveal a novel catalytic mechanism and prodrug binding. J.Mol.Biol., 298, 2000
|
|
4D6P
| RADA C-TERMINAL ATPASE DOMAIN FROM PYROCOCCUS FURIOSUS BOUND TO AMPPNP | Descriptor: | DNA REPAIR AND RECOMBINATION PROTEIN RADA, GLYCEROL, MAGNESIUM ION, ... | Authors: | Marsh, M.E, Ehebauer, M.T, Scott, D, Abell, C, Blundell, T.L, Hyvonen, M. | Deposit date: | 2014-11-13 | Release date: | 2015-01-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.482 Å) | Cite: | ATP Half-Sites in Rada and Rad51 Recombinases Bind Nucleotides FEBS Open Bio, 6, 2016
|
|
1LIK
| STRUCTURE OF T. GONDII ADENOSINE KINASE BOUND TO ADENOSINE | Descriptor: | ADENOSINE, CHLORIDE ION, SULFATE ION, ... | Authors: | Schumacher, M.A, Scott, D.M, Mathews, I.I, Ealick, S.E, Roos, D.S, Ullman, B, Brennan, R.G. | Deposit date: | 2002-04-17 | Release date: | 2002-05-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal structures of Toxoplasma gondii adenosine kinase reveal a novel catalytic mechanism and prodrug binding. J.Mol.Biol., 298, 2000
|
|
1LII
| STRUCTURE OF T. GONDII ADENOSINE KINASE BOUND TO ADENOSINE 2 AND AMP-PCP | Descriptor: | ADENOSINE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Schumacher, M.A, Scott, D.M, Mathews, I.I, Ealick, S.E, Roos, D.S, Ullman, B, Brennan, R.G. | Deposit date: | 2002-04-17 | Release date: | 2002-05-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystal structures of Toxoplasma gondii adenosine kinase reveal a novel catalytic mechanism and prodrug binding. J.Mol.Biol., 298, 2000
|
|
6XUJ
| HumRadA1 in complex with 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine in P21212 | Descriptor: | 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine, DNA repair and recombination protein RadA, PHOSPHATE ION | Authors: | Marsh, M.E, Scott, D.E, Hyvonen, M. | Deposit date: | 2020-01-20 | Release date: | 2021-03-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Optimising crystallographic systems for structure-guided drug discovery To be published
|
|
2N5G
| NMR structure of KorA, a plasmid-encoded, global transcription regulator KorA | Descriptor: | TrfB transcriptional repressor protein | Authors: | Rajasekar, K.V, Lovering, A.L, Dancea, F.V, Scott, D.J, Harris, S, Bingle, L.E, Roessle, M, Thomas, C.M, Hyde, E.I, White, S.A. | Deposit date: | 2015-07-17 | Release date: | 2016-07-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Flexibility of KorA, a plasmid-encoded, global transcription regulator, in the presence and the absence of its operator. Nucleic Acids Res., 44, 2016
|
|
1LIO
| STRUCTURE OF APO T. GONDII ADENOSINE KINASE | Descriptor: | adenosine kinase | Authors: | Schumacher, M.A, Scott, D.M, Mathews, I.I, Ealick, S.E, Brennan, R.G. | Deposit date: | 2002-04-17 | Release date: | 2002-06-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of Toxoplasma gondii adenosine kinase reveal a novel catalytic mechanism and prodrug binding. J.Mol.Biol., 298, 2000
|
|
3RTR
| A RING E3-substrate complex poised for ubiquitin-like protein transfer: structural insights into cullin-RING ligases | Descriptor: | Cullin-1, E3 ubiquitin-protein ligase RBX1, ZINC ION | Authors: | Calabrese, M.F, Scott, D.C, Duda, D.M, Grace, C.R, Kurinov, I, Kriwacki, R.W, Schulman, B.A. | Deposit date: | 2011-05-03 | Release date: | 2011-07-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.21 Å) | Cite: | A RING E3-substrate complex poised for ubiquitin-like protein transfer: structural insights into cullin-RING ligases. Nat.Struct.Mol.Biol., 18, 2011
|
|
1DY3
| Ternary complex of 7,8-dihydro-6-hydroxymethylpterinpyrophosphokinase from Escherichia coli with ATP and a substrate analogue. | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 7,8-DIHYDRO-6-HYDROXYMETHYL-7-METHYL-7-[2-PHENYLETHYL]-PTERIN, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Stammers, D.K, Achari, A, Somers, D.O, Bryant, P.K, Rosemond, J, Scott, D.L, Champness, J.N. | Deposit date: | 2000-01-21 | Release date: | 2000-08-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 2.0A X-Ray Structure of the Ternary Complex of 7,8-Dihydro-6-Hydroxymethylpterinpyrophosphokinase from Escherichia Coli with ATP and a Substrate Analogue FEBS Lett., 456, 1999
|
|
4BWB
| Structure of Evolved Agonist-bound Neurotensin Receptor 1 Mutant without Lysozyme Fusion | Descriptor: | NEUROTENSIN, NEUROTENSIN RECEPTOR TYPE 1 | Authors: | Egloff, P, Hillenbrand, M, Scott, D.J, Schlinkmann, K.M, Heine, P, Balada, S, Batyuk, A, Mittl, P, Plueckthun, A. | Deposit date: | 2013-07-01 | Release date: | 2014-01-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.57 Å) | Cite: | Structure of Signaling-Competent Neurotensin Receptor 1 Obtained by Directed Evolution in Escherichia Coli Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
4BV0
| High Resolution Structure of Evolved Agonist-bound Neurotensin Receptor 1 Mutant without Lysozyme Fusion | Descriptor: | NEUROTENSIN RECEPTOR TYPE 1, NEUROTENSIN/NEUROMEDIN N | Authors: | Egloff, P, Hillenbrand, M, Scott, D.J, Schlinkmann, K.M, Heine, P, Balada, S, Batyuk, A, Mittl, P, Schuetz, M, Plueckthun, A. | Deposit date: | 2013-06-24 | Release date: | 2014-01-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of Signaling-Competent Neurotensin Receptor 1 Obtained by Directed Evolution in Escherichia Coli Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
3T9L
| Structure of N-terminal DUSP-UBL domains of human USP15 | Descriptor: | SULFATE ION, Ubiquitin carboxyl-terminal hydrolase 15 | Authors: | Harper, S, Besong, T.M.D, Emsley, J, Scott, D.J, Dreveny, I. | Deposit date: | 2011-08-03 | Release date: | 2011-09-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of the USP15 N-Terminal Domains: A beta-Hairpin Mediates Close Association between the DUSP and UBL Domains Biochemistry, 50, 2011
|
|
4MEL
| Crystal Structure of the human USP11 DUSP-UBL domains | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 11 | Authors: | Harper, S, Gratton, H.E, Cornaciu, I, Oberer, M, Scott, D.J, Emsley, J, Dreveny, I. | Deposit date: | 2013-08-27 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.899 Å) | Cite: | Structure and Catalytic Regulatory Function of Ubiquitin Specific Protease 11 N-Terminal and Ubiquitin-like Domains. Biochemistry, 53, 2014
|
|
1DTO
| CRYSTAL STRUCTURE OF THE COMPLETE TRANSACTIVATION DOMAIN OF E2 PROTEIN FROM THE HUMAN PAPILLOMAVIRUS TYPE 16 | Descriptor: | REGULATORY PROTEIN E2 | Authors: | Antson, A.A, Burns, J.E, Moroz, O.V, Scott, D.J, Sanders, C.M, Bronstein, I.B, Dodson, G.G, Wilson, K.S, Maitland, N. | Deposit date: | 2000-01-13 | Release date: | 2000-02-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the intact transactivation domain of the human papillomavirus E2 protein. Nature, 403, 2000
|
|
4MEM
| Crystal Structure of the rat USP11 DUSP-UBL domains | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 11 | Authors: | Harper, S, Gratton, H.E, Cornaciu, I, Oberer, M, Scott, D.J, Emsley, J, Dreveny, I. | Deposit date: | 2013-08-27 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structure and Catalytic Regulatory Function of Ubiquitin Specific Protease 11 N-Terminal and Ubiquitin-like Domains. Biochemistry, 53, 2014
|
|
1BMP
| BONE MORPHOGENETIC PROTEIN-7 | Descriptor: | BONE MORPHOGENETIC PROTEIN-7 | Authors: | Griffith, D.L, Scott, D.L. | Deposit date: | 1995-12-14 | Release date: | 1997-07-23 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Three-dimensional structure of recombinant human osteogenic protein 1: structural paradigm for the transforming growth factor beta superfamily. Proc.Natl.Acad.Sci.USA, 93, 1996
|
|