8CZH
| Human BAK in complex with the dM2 peptide | Descriptor: | Bcl-2 homologous antagonist/killer, DM2 peptide | Authors: | Aguilar, F, Keating, A.E. | Deposit date: | 2022-05-24 | Release date: | 2023-01-11 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Peptides from human BNIP5 and PXT1 and non-native binders of pro-apoptotic BAK can directly activate or inhibit BAK-mediated membrane permeabilization. Structure, 31, 2023
|
|
8CZF
| Human BAK in complex with the dF2 peptide | Descriptor: | Bcl-2 homologous antagonist/killer, DF2 peptide | Authors: | Aguilar, F, Keating, A.E. | Deposit date: | 2022-05-24 | Release date: | 2023-01-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Peptides from human BNIP5 and PXT1 and non-native binders of pro-apoptotic BAK can directly activate or inhibit BAK-mediated membrane permeabilization. Structure, 31, 2023
|
|
8CZG
| Human BAK in complex with the dF3 peptide | Descriptor: | Bcl-2 homologous antagonist/killer, dF3 peptide | Authors: | Aguilar, F, Keating, A.E. | Deposit date: | 2022-05-24 | Release date: | 2023-01-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Peptides from human BNIP5 and PXT1 and non-native binders of pro-apoptotic BAK can directly activate or inhibit BAK-mediated membrane permeabilization. Structure, 31, 2023
|
|
5FBH
| Crystal structure of the extracellular domain of human calcium sensing receptor with bound Gd3+ | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BICARBONATE ION, CHLORIDE ION, ... | Authors: | Zhang, T, Zhang, C, Miller, C.L, Zou, J, Moremen, K.W, Brown, E.M, Yang, J.J, Hu, J. | Deposit date: | 2015-12-14 | Release date: | 2016-06-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for regulation of human calcium-sensing receptor by magnesium ions and an unexpected tryptophan derivative co-agonist. Sci Adv, 2, 2016
|
|
4N6X
| Crystal Structure of the Chemokine Receptor CXCR2 in Complex with the First PDZ Domain of NHERF1 | Descriptor: | CHLORIDE ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF1/Chemokine Receptor CXCR2 fusion protein | Authors: | Lu, G, Wu, Y, Jiang, Y, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z. | Deposit date: | 2013-10-14 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.051 Å) | Cite: | New Conformational State of NHERF1-CXCR2 Signaling Complex Captured by Crystal Lattice Trapping. Plos One, 8, 2013
|
|
2WAP
| 3D-crystal structure of humanized-rat fatty acid amide hydrolase (FAAH) conjugated with the drug-like urea inhibitor PF-3845 | Descriptor: | 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid, CHLORIDE ION, FATTY-ACID AMIDE HYDROLASE 1, ... | Authors: | Mileni, M, Kamtekar, S, Stevens, R.C. | Deposit date: | 2009-02-11 | Release date: | 2009-05-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery and Characterization of a Highly Selective Faah Inhibitor that Reduces Inflammatory Pain. Chem.Biol., 16, 2009
|
|
2XJG
| Structure of HSP90 with small molecule inhibitor bound | Descriptor: | 1,3-DIHYDROISOINDOL-2-YL-(2-HYDROXY-4-METHOXY-5-PROPAN-2-YL-PHENYL)METHANONE, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, B, Woodhead, A.J, Woolford, A.J.A. | Deposit date: | 2010-07-06 | Release date: | 2010-08-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design. J.Med.Chem., 53, 2010
|
|
4LMM
| Crystal structure of NHERF1 PDZ1 domain complexed with the CXCR2 C-terminal tail in P21 space group | Descriptor: | ACETIC ACID, CHLORIDE ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF1 | Authors: | Jiang, Y, Lu, G, Wu, Y, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z. | Deposit date: | 2013-07-10 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | New Conformational State of NHERF1-CXCR2 Signaling Complex Captured by Crystal Lattice Trapping. Plos One, 8, 2013
|
|
5GVV
| Crystal structure of the glycosyltransferase GlyE in Streptococcus pneumoniae TIGR4 | Descriptor: | Glycosyl transferase family 8, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE | Authors: | Jiang, Y.L, Jin, H, Zhao, R.L, Yang, H.B, Chen, Y, Zhou, C.Z. | Deposit date: | 2016-09-07 | Release date: | 2017-03-01 | Last modified: | 2017-12-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Defining the enzymatic pathway for polymorphic O-glycosylation of the pneumococcal serine-rich repeat protein PsrP. J. Biol. Chem., 292, 2017
|
|
4NK5
| |
5GVW
| Crystal structure of the apo-form glycosyltransferase GlyE in Streptococcus pneumoniae TIGR4 | Descriptor: | Glycosyl transferase family 8, MANGANESE (II) ION | Authors: | Jiang, Y.L, Jin, H, Zhao, R.L, Yang, H.B, Chen, Y, Zhou, C.Z. | Deposit date: | 2016-09-07 | Release date: | 2017-03-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Defining the enzymatic pathway for polymorphic O-glycosylation of the pneumococcal serine-rich repeat protein PsrP. J. Biol. Chem., 292, 2017
|
|
5E1R
| |
2GMX
| Selective Aminopyridine-Based C-Jun N-terminal Kinase inhibitors with cellular activity | Descriptor: | C-jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, N-(4-AMINO-5-CYANO-6-ETHOXYPYRIDIN-2-YL)-2-(4-BROMO-2,5-DIMETHOXYPHENYL)ACETAMIDE, ... | Authors: | Abad-Zapatero, C. | Deposit date: | 2006-04-07 | Release date: | 2006-06-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Aminopyridine-Based c-Jun N-Terminal Kinase Inhibitors with Cellular Activity and Minimal Cross-Kinase Activity. J.Med.Chem., 49, 2006
|
|
6J67
| Crystal structure of the compound 34 in a complex with TRF2 | Descriptor: | 3FB-PHE-B8R-LEU-5XU-PRO, Telomeric repeat-binding factor 2 | Authors: | Chen, Y, Yang, Y, Lei, M. | Deposit date: | 2019-01-14 | Release date: | 2019-02-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Cyclic Peptidic Mimetics of Apollo Peptides Targeting Telomeric Repeat Binding Factor 2 (TRF2) and Apollo Interaction. ACS Med Chem Lett, 9, 2018
|
|
3B23
| Crystal structure of thrombin-variegin complex: Insights of a novel mechanism of inhibition and design of tunable thrombin inhibitors | Descriptor: | Thrombin heavy chain, Thrombin light chain, Variegin | Authors: | Koh, C.Y, Kumar, S, Swaminathan, K, Kini, R.M. | Deposit date: | 2011-07-20 | Release date: | 2011-11-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of thrombin in complex with s-variegin: insights of a novel mechanism of inhibition and design of tunable thrombin inhibitors Plos One, 6, 2011
|
|
4N3Y
| |
5FBK
| Crystal structure of the extracellular domain of human calcium sensing receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BICARBONATE ION, CHLORIDE ION, ... | Authors: | Zhang, T, Zhang, C, Miller, C.L, Zou, J, Moremen, K.W, Brown, E.M, Yang, J.J, Hu, J. | Deposit date: | 2015-12-14 | Release date: | 2016-06-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for regulation of human calcium-sensing receptor by magnesium ions and an unexpected tryptophan derivative co-agonist. Sci Adv, 2, 2016
|
|
6JBQ
| |
2XJJ
| Structure of HSP90 with small molecule inhibitor bound | Descriptor: | 1,3-DIHYDROISOINDOL-2-YL-(6-HYDROXY-3,3-DIMETHYL-1,2-DIHYDROINDOL-5-YL)METHANONE, GLYCEROL, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | Deposit date: | 2010-07-06 | Release date: | 2010-08-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design. J.Med.Chem., 53, 2010
|
|
4N3Z
| |
2XJX
| Structure of HSP90 with small molecule inhibitor bound | Descriptor: | HEAT SHOCK PROTEIN HSP 90-ALPHA, Onalespib | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | Deposit date: | 2010-07-06 | Release date: | 2010-08-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design. J.Med.Chem., 53, 2010
|
|
4N3X
| |
4MPA
| Crystal structure of NHERF1-CXCR2 signaling complex in P21 space group | Descriptor: | ACETIC ACID, CHLORIDE ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF1, ... | Authors: | Jiang, Y, Lu, G, Wu, Y, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z. | Deposit date: | 2013-09-12 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.097 Å) | Cite: | New Conformational State of NHERF1-CXCR2 Signaling Complex Captured by Crystal Lattice Trapping. Plos One, 8, 2013
|
|
6JCX
| |
6JIM
| Viral helicase protein | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM ION, CHLORIDE ION, ... | Authors: | Law, Y.S. | Deposit date: | 2019-02-22 | Release date: | 2019-04-10 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insights into RNA recognition by the Chikungunya virus nsP2 helicase. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|