5RGB
| Crystal Structure of Kemp Eliminase HG3.3b with bound transition state analogue, 277K | Descriptor: | 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3.3b, SULFATE ION | Authors: | Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. | Deposit date: | 2020-03-19 | Release date: | 2020-07-22 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico. Nat Commun, 11, 2020
|
|
5RGD
| Crystal Structure of Kemp Eliminase HG3.14 with bound transition state analogue, 277K | Descriptor: | 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3.14, SULFATE ION | Authors: | Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. | Deposit date: | 2020-03-19 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico. Nat Commun, 11, 2020
|
|
4FX0
| |
5RG6
| Crystal Structure of Kemp Eliminase HG3.7 in unbound state, 277K | Descriptor: | Kemp Eliminase HG3, SULFATE ION | Authors: | Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. | Deposit date: | 2020-03-19 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico. Nat Commun, 11, 2020
|
|
5RG5
| Crystal Structure of Kemp Eliminase HG3.3b in unbound state, 277K | Descriptor: | ACETATE ION, Kemp Eliminase HG3, SULFATE ION | Authors: | Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. | Deposit date: | 2020-03-19 | Release date: | 2020-07-22 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico. Nat Commun, 11, 2020
|
|
2JBR
| |
2JBS
| |
2JBT
| |
4HXP
| Brd4 Bromodomain 1 complex with 4-(2-OXO-1,3-OXAZOLIDIN-3-YL)BENZAMIDE inhibitor | Descriptor: | 4-(2-oxo-1,3-oxazolidin-3-yl)benzamide, Bromodomain-containing protein 4 | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | Deposit date: | 2012-11-12 | Release date: | 2013-04-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
|
|
4HXN
| Brd4 Bromodomain 1 complex with 4-(2-FLUOROPHENYL)-1,3-THIAZOL-2(3H)-ONE inhibitor | Descriptor: | 4-(2-fluorophenyl)-1,3-thiazol-2(3H)-one, Bromodomain-containing protein 4 | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | Deposit date: | 2012-11-12 | Release date: | 2013-04-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
|
|
3DAJ
| |
2N3T
| |
2N3W
| |
2N3U
| |
4L91
| Crystal structure of Human Hsp90 with X29 | Descriptor: | 4-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-6-chlorobenzene-1,3-diol, Heat shock protein HSP 90-alpha | Authors: | Li, J, Ren, J, Yang, M, Xiong, B, He, J. | Deposit date: | 2013-06-18 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization Bioorg.Med.Chem.Lett., 24, 2014
|
|
4L94
| Crystal structure of Human Hsp90 with S46 | Descriptor: | (4-hydroxyphenyl)(4-methylpiperazin-1-yl)methanone, Heat shock protein HSP 90-alpha | Authors: | Li, J, Ren, J, Yang, M, Xiong, B, He, J. | Deposit date: | 2013-06-18 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.649 Å) | Cite: | Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization Bioorg.Med.Chem.Lett., 24, 2014
|
|
1DKW
| CRYSTAL STRUCTURE OF TRIOSE-PHOSPHATE ISOMERASE WITH MODIFIED SUBSTRATE BINDING SITE | Descriptor: | TERTIARY-BUTYL ALCOHOL, TRIOSEPHOSPHATE ISOMERASE | Authors: | Norledge, B.V, Lambeir, A.M, Abagyan, R.A, Rottman, A, Fernandez, A.M, Filimonov, V.V, Peter, M.G, Wierenga, R.K. | Deposit date: | 1999-12-08 | Release date: | 2000-11-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Modeling, mutagenesis, and structural studies on the fully conserved phosphate-binding loop (loop 8) of triosephosphate isomerase: toward a new substrate specificity. Proteins, 42, 2001
|
|
7LVT
| Structure of full-length GluK1 with L-Glu | Descriptor: | Isoform Glur5-2 of Glutamate receptor ionotropic, kainate 1 | Authors: | Meyerson, J.R, Selvakumar, P. | Deposit date: | 2021-02-26 | Release date: | 2021-11-03 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Structural and compositional diversity in the kainate receptor family. Cell Rep, 37, 2021
|
|
2CYE
| Crystal structure of Thioesterase complexed with coenzyme A and Zn from Thermus thermophilus HB8 | Descriptor: | COENZYME A, Putative thioesterase, ZINC ION | Authors: | Hosaka, T, Kato-Murayama, M, Murayama, K, Kishishita, S, Handa, N, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-07-06 | Release date: | 2006-01-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the putative thioesterase protein TTHA1846 from Thermus thermophilus HB8 complexed with coenzyme A and a zinc ion. Acta Crystallogr.,Sect.D, 65, 2009
|
|
2N3V
| |
4L8Z
| Crystal structure of Human Hsp90 with RL1 | Descriptor: | Heat shock protein HSP 90-alpha, [5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](3,4-dihydroisoquinolin-2(1H)-yl)methanone | Authors: | Li, J, Ren, J, Yang, M, Xiong, B, He, J. | Deposit date: | 2013-06-18 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.703 Å) | Cite: | Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization Bioorg.Med.Chem.Lett., 24, 2014
|
|
2KBH
| solution structure of BmKalphaTx11 (major conformation) | Descriptor: | Toxin Bmka2 | Authors: | Zhu, J, Wu, H. | Deposit date: | 2008-11-28 | Release date: | 2009-12-08 | Last modified: | 2019-12-11 | Method: | SOLUTION NMR | Cite: | Solution structure of BmKalphaTx11, a toxin from the venom of the Chinese scorpion Buthus martensii Karsch Biochem.Biophys.Res.Commun., 391, 2010
|
|
2PET
| Lutheran glycoprotein, N-terminal domains 1 and 2. | Descriptor: | Lutheran blood group glycoprotein | Authors: | Burton, N, Brady, R.L. | Deposit date: | 2007-04-03 | Release date: | 2007-12-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Laminin 511/521-binding site on the Lutheran blood group glycoprotein is located at the flexible junction of Ig domains 2 and 3. Blood, 110, 2007
|
|
2PF6
| Lutheran glycoprotein, N-terminal domains 1 and 2 | Descriptor: | Lutheran blood group glycoprotein | Authors: | Burton, N, Brady, R.L. | Deposit date: | 2007-04-04 | Release date: | 2007-12-04 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Laminin 511/521-binding site on the Lutheran blood group glycoprotein is located at the flexible junction of Ig domains 2 and 3. Blood, 110, 2007
|
|
1X8H
| |