2YDH
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6SLW
| Fragment AZ-004 binding at the TAZpS89/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, 4-methyl-5-phenyl-thiophene-2-carboximidamide, WW domain-containing transcription regulator protein 1 | Authors: | Ottmann, C, Wolter, M, Guillory, X, Leysen, S, Genet, S, Somsen, B, Patel, J, Castaldi, P. | Deposit date: | 2019-08-20 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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6SZR
| Crystal structure of YTHDC1 with fragment 9 (DHU_DC1_107) | Descriptor: | 6-[[methyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione, SULFATE ION, YTH domain-containing protein 1 | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-02 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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6SZX
| Crystal structure of YTHDC1 with fragment 11 (DHU_DC1_128) | Descriptor: | 6-[[cyclopropyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-02 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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3ZSX
| Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design | Descriptor: | 1,2-ETHANEDIOL, 5-({[2-(benzylcarbamoyl)benzyl](prop-2-en-1-yl)amino}methyl)-1,3-benzodioxole-4-carboxylate, ACETATE ION, ... | Authors: | Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L, Deadman, J.J. | Deposit date: | 2011-07-01 | Release date: | 2012-07-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design. Plos One, 7, 2012
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6T06
| Crystal structure of YTHDC1 with fragment 19 (DHU_DC1_045) | Descriptor: | 3-imidazolidin-2-yl-2~{H}-indazole, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-02 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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6T0C
| Crystal structure of YTHDC1 with fragment 26 (DHU_DC1_198) | Descriptor: | SULFATE ION, YTHDC1, ~{N}-methyl-2~{H}-indazole-3-carboxamide | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-02 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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6AVA
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8DOZ
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6ATW
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1NRE
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2OCU
| Structure of the complex of C-terminal lobe of bovine lactoferrin with N-(4-hydroxyphenyl) acetamide at 2.38 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ... | Authors: | Mir, R, Singh, N, Sinha, M, Sharma, S, Kaur, P, Singh, T.P. | Deposit date: | 2006-12-21 | Release date: | 2007-01-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Structure of the complex of C-terminal lobe of bovine lactoferrin with N-(4-hydroxyphenyl) acetamide at 2.38 A resolution To be Published
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5CJX
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8VM1
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6KV9
| MoeE5 in complex with UDP-glucuronic acid and NAD | Descriptor: | MoeE5, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID | Authors: | Ko, T.-P, Liu, W, Sun, H, Liu, W, Chen, C.-C, Guo, R.-T. | Deposit date: | 2019-09-03 | Release date: | 2019-11-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Structure of an antibiotic-synthesizing UDP-glucuronate 4-epimerase MoeE5 in complex with substrate. Biochem.Biophys.Res.Commun., 521, 2020
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2YF0
| Human Myotubularin related protein 6 (MTMR6) | Descriptor: | MYOTUBULARIN-RELATED PROTEIN 6, SULFATE ION | Authors: | Moche, M, Tresaugues, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kotenyova, T, Kouznetsova, E, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, VanDenBerg, S, Wahlberg, E, Weigelt, J, Welin, M, Nordlund, P. | Deposit date: | 2011-03-31 | Release date: | 2011-04-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Crystal Structure of Human Mtmr6 To be Published
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3SI7
| The crystal structure of the NBD1 domain of the mouse CFTR protein, deltaF508 mutant | Descriptor: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, ... | Authors: | Brautigam, C.A, Caspa, E, Thomas, P.J. | Deposit date: | 2011-06-17 | Release date: | 2012-02-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Requirements for efficient correction of DeltaF508 CFTR revealed by analyses of evolved sequences Cell(Cambridge,Mass.), 148, 2012
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1OEX
| Atomic Resolution Structure of Endothiapepsin in Complex with a Hydroxyethylene Transition State Analogue Inhibitor H261 | Descriptor: | ENDOTHIAPEPSIN, GLYCEROL, INHIBITOR H261, ... | Authors: | Coates, L, Erskine, P.T, Mall, S, Gill, R.S, Wood, S.P, Myles, D.A.A, Cooper, J.B. | Deposit date: | 2003-03-31 | Release date: | 2003-04-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Atomic Resolution Analysis of the Catalytic Site of an Aspartic Proteinase and an Unexpected Mode of Binding by Short Peptides Protein Sci., 12, 2003
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1OEW
| ATOMIC RESOLUTION STRUCTURE OF NATIVE ENDOTHIAPEPSIN | Descriptor: | ENDOTHIAPEPSIN, GLYCEROL, SERINE, ... | Authors: | Coates, L, Erskine, P.T, Mall, S, Gill, R.S, Wood, S.P, Myles, D.A.A, Cooper, J.B. | Deposit date: | 2003-03-31 | Release date: | 2003-04-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Atomic Resolution Analysis of the Catalytic Site of an Aspartic Proteinase and an Unexpected Mode of Binding by Short Peptides Protein Sci., 12, 2003
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3ZKF
| Structure of LC8 in complex with Nek9 phosphopeptide | Descriptor: | DYNEIN LIGHT CHAIN 1, CYTOPLASMIC, NEK9 PROTEIN | Authors: | Gallego, P, Velazquez-Campoy, A, Regue, L, Roig, J, Reverter, D. | Deposit date: | 2013-01-22 | Release date: | 2013-03-20 | Last modified: | 2013-05-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Analysis of the Regulation of the Dynll/Lc8 Binding to Nek9 by Phosphorylation J.Biol.Chem., 288, 2013
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5CPB
| The effect of isoleucine to alanine mutation on InhA enzyme crystallization pattern and inhibition by ligand PT70 (TCU) | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Li, H.-J, Lai, C.-T, Liu, N, Yu, W, Shah, S, Bommineni, G.R, Perrone, V, Garcia-Diaz, M, Tonge, P.J, Simmerling, C. | Deposit date: | 2015-07-21 | Release date: | 2015-08-19 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA. Biochemistry, 54, 2015
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3ZLF
| Structure of group A Streptococcal enolase K312A mutant | Descriptor: | ENOLASE, PHOSPHATE ION | Authors: | Cork, A.J, Ericsson, D.J, Law, R.H.P, Casey, L.W, Valkov, E, Bertozzi, C, Stamp, A, Aquilina, J.A, Whisstock, J.C, Walker, M.J, Kobe, B. | Deposit date: | 2013-01-31 | Release date: | 2014-02-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Stability of the Octameric Structure Affects Plasminogen-Binding Capacity of Streptococcal Enolase. Plos One, 10, 2015
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4DDR
| Human dihydrofolate reductase complexed with NADPH and P218 | Descriptor: | 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Yuthavong, Y, Tarnchompoo, B, Vilaivan, T, Chitnumsub, P, Kamchonwongpaisan, S, Charman, S.A, McLennan, D.N, White, K.L, Vivas, L, Bongard, E, Thongphanchang, C, Taweechai, S, Vanichtanankul, J, Rattanajak, R, Arwon, U, Fantauzzi, P, Yuvaniyama, J, Charman, W.N, Matthews, D. | Deposit date: | 2012-01-19 | Release date: | 2012-11-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised target Proc.Natl.Acad.Sci.USA, 109, 2012
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3G2U
| VHS Domain of human GGA1 complexed with Sotilin C-terminal Peptide | Descriptor: | ADP-ribosylation factor-binding protein GGA1, C-terminal fragment of Sortilin, IODIDE ION | Authors: | Cramer, J.F, Behrens, M.A, Gustafsen, C, Oliveira, C.L.P, Pedersen, J.S, Madsen, P, Petersen, C.M, Thirup, S.S. | Deposit date: | 2009-02-01 | Release date: | 2009-12-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | GGA autoinhibition revisited Traffic, 11, 2010
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2O78
| Tyrosine ammonia-lyase from Rhodobacter sphaeroides (His89Phe variant) complexed with cinnamic acid | Descriptor: | PHENYLETHYLENECARBOXYLIC ACID, Putative histidine ammonia-lyase | Authors: | Louie, G.V, Bowman, M.E, Moffitt, M.C, Baiga, T.J, Moore, B.S, Noel, J.P. | Deposit date: | 2006-12-10 | Release date: | 2007-01-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural determinants and modulation of substrate specificity in phenylalanine-tyrosine ammonia-lyases. Chem.Biol., 13, 2006
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