2FD4
| Crystal Structure of AvrPtoB (436-553) | Descriptor: | avirulence protein AvrptoB | Authors: | Janjusevic, R, Stebbins, C.E. | Deposit date: | 2005-12-13 | Release date: | 2005-12-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A bacterial inhibitor of host programmed cell death defenses is an E3 ubiquitin ligase. Science, 311, 2006
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4MGA
| Crystal structure of hERa-LBD (Y537S) in complex with 4-tert-octylphenol | Descriptor: | 4-(2,4,4-trimethylpentan-2-yl)phenol, Estrogen receptor, Nuclear receptor coactivator 1 | Authors: | Delfosse, V, Grimaldi, M, Bourguet, W. | Deposit date: | 2013-08-28 | Release date: | 2014-09-03 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and functional profiling of environmental ligands for estrogen receptors. Environ.Health Perspect., 122, 2014
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8ZFO
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8ZFP
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8ZFQ
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9BQJ
| RO76 bound muOR-Gi1-scFv16 complex structure | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Wang, H, Majumdar, S, Kobilka, B.K. | Deposit date: | 2024-05-10 | Release date: | 2024-09-11 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Signaling Modulation Mediated by Ligand Water Interactions with the Sodium Site at mu OR. Acs Cent.Sci., 10, 2024
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6JXU
| SUMO1 bound to SLS4-SIM peptide from ICP0 | Descriptor: | Small ubiquitin-related modifier, viral protein | Authors: | Hembram, D.S.S, Negi, H, Shet, D, Das, R. | Deposit date: | 2019-04-25 | Release date: | 2020-02-05 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The Viral SUMO-Targeted Ubiquitin Ligase ICP0 is Phosphorylated and Activated by Host Kinase Chk2. J.Mol.Biol., 432, 2020
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9EU6
| The FK1 domain of FKBP51 in complex with SAFit-analog 23j | Descriptor: | (1,5-dimethylpyrazol-4-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Buffa, V, Hausch, F. | Deposit date: | 2024-03-27 | Release date: | 2024-06-12 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | 1,4-Pyrazolyl-Containing SAFit-Analogues are Selective FKBP51 Inhibitors With Improved Ligand Efficiency and Drug-Like Profile. Chemmedchem, 19, 2024
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9EUE
| The FK1 domain of FKBP51 in complex with SAFit-analog 23a | Descriptor: | (1-methylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Buffa, V, Hausch, F. | Deposit date: | 2024-03-27 | Release date: | 2024-06-12 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 1,4-Pyrazolyl-Containing SAFit-Analogues are Selective FKBP51 Inhibitors With Improved Ligand Efficiency and Drug-Like Profile. Chemmedchem, 19, 2024
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9EU7
| The FK1 domain of FKBP51 in complex with SAFit-analog 15b | Descriptor: | (2-methyl-1,3-thiazol-5-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Buffa, V, Hausch, F. | Deposit date: | 2024-03-27 | Release date: | 2024-06-12 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | 1,4-Pyrazolyl-Containing SAFit-Analogues are Selective FKBP51 Inhibitors With Improved Ligand Efficiency and Drug-Like Profile. Chemmedchem, 19, 2024
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9EUA
| The FK1 domain of FKBP51 in complex with SAFit-analog 23d | Descriptor: | (1-propylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Buffa, V, Hausch, F. | Deposit date: | 2024-03-27 | Release date: | 2024-06-12 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 1,4-Pyrazolyl-Containing SAFit-Analogues are Selective FKBP51 Inhibitors With Improved Ligand Efficiency and Drug-Like Profile. Chemmedchem, 19, 2024
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9EU9
| The FK1 domain of FKBP51 in complex with SAFit-analog 15i | Descriptor: | (4-chloranyl-1,3-thiazol-5-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Buffa, V, Hausch, F. | Deposit date: | 2024-03-27 | Release date: | 2024-06-12 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 1,4-Pyrazolyl-Containing SAFit-Analogues are Selective FKBP51 Inhibitors With Improved Ligand Efficiency and Drug-Like Profile. Chemmedchem, 19, 2024
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9EUC
| The FK1 domain of FKBP51 in complex with SAFit-analog 23b | Descriptor: | (1-ethylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Buffa, V, Hausch, F. | Deposit date: | 2024-03-27 | Release date: | 2024-06-12 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 1,4-Pyrazolyl-Containing SAFit-Analogues are Selective FKBP51 Inhibitors With Improved Ligand Efficiency and Drug-Like Profile. Chemmedchem, 19, 2024
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9EUD
| The FK1 domain of FKBP51 in complex with SAFit-analog 23c | Descriptor: | (1-propan-2-ylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Buffa, V, Hausch, F. | Deposit date: | 2024-03-27 | Release date: | 2024-06-12 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (2.022 Å) | Cite: | 1,4-Pyrazolyl-Containing SAFit-Analogues are Selective FKBP51 Inhibitors With Improved Ligand Efficiency and Drug-Like Profile. Chemmedchem, 19, 2024
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3KHO
| Crystal structure of murine Ig-beta (CD79b) homodimer | Descriptor: | B-cell antigen receptor complex-associated protein beta chain, SULFATE ION | Authors: | Radaev, S, Sun, P.D. | Deposit date: | 2009-10-30 | Release date: | 2010-08-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Structural and Functional Studies of Igalphabeta and Its Assembly with the B Cell Antigen Receptor. Structure, 18, 2010
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9EU8
| The FK1 domain of FKBP51 in complex with SAFit-analog 15h | Descriptor: | (4-methyl-1,3-thiazol-5-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Buffa, V, Hausch, F. | Deposit date: | 2024-03-27 | Release date: | 2024-06-12 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 1,4-Pyrazolyl-Containing SAFit-Analogues are Selective FKBP51 Inhibitors With Improved Ligand Efficiency and Drug-Like Profile. Chemmedchem, 19, 2024
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9EUB
| The FK1 domain of FKBP51 in complex with SAFit-analog 24e | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, [1-(2-hydroxyethyl)pyrazol-4-yl]methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate | Authors: | Meyners, C, Buffa, V, Hausch, F. | Deposit date: | 2024-03-27 | Release date: | 2024-06-12 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 1,4-Pyrazolyl-Containing SAFit-Analogues are Selective FKBP51 Inhibitors With Improved Ligand Efficiency and Drug-Like Profile. Chemmedchem, 19, 2024
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2HIK
| heterotrimeric PCNA sliding clamp | Descriptor: | PCNA1 (SSO0397), PCNA2 (SSO1047), PCNA3 (SSO0405) | Authors: | Pascal, J.M, Tsodikov, O.V, Ellenberger, T. | Deposit date: | 2006-06-29 | Release date: | 2006-11-07 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | A Flexible Interface between DNA Ligase and PCNA Supports Conformational Switching and Efficient Ligation of DNA. Mol.Cell, 24, 2006
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2HII
| heterotrimeric PCNA sliding clamp | Descriptor: | PCNA1 (SSO0397), PCNA2 (SSO1047), PCNA3 (SSO0405) | Authors: | Pascal, J.M, Tsodikov, O.V, Ellenberger, T. | Deposit date: | 2006-06-29 | Release date: | 2006-11-07 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | A Flexible Interface between DNA Ligase and PCNA Supports Conformational Switching and Efficient Ligation of DNA. Mol.Cell, 24, 2006
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7TTV
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8Q6B
| The RSL-D32N - sulfonato-calix[8]arene complex, I23 form, citrate pH 4.0, obtained by cross-seeding | Descriptor: | Fucose-binding lectin protein, GLYCEROL, beta-D-fructopyranose, ... | Authors: | Flood, R.J, Crowley, P.B. | Deposit date: | 2023-08-11 | Release date: | 2024-03-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Supramolecular Synthons in Protein-Ligand Frameworks. Cryst.Growth Des., 24, 2024
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4XV5
| CcP gateless cavity | Descriptor: | BENZIMIDAZOLE, Cytochrome c peroxidase, mitochondrial, ... | Authors: | Fischer, M, Fraser, J.S. | Deposit date: | 2015-01-26 | Release date: | 2015-02-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites. Chembiochem, 16, 2015
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3KMV
| Crystal structure of CBM42A from Clostridium thermocellum | Descriptor: | ACETATE ION, Alpha-L-arabinofuranosidase B, CALCIUM ION, ... | Authors: | Santos-Silva, T, Alves, V.D, Prates, J.A.M, Fontes, C.M.G.A, Romao, M.J. | Deposit date: | 2009-11-11 | Release date: | 2010-08-04 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Family 42 carbohydrate-binding modules display multiple arabinoxylan-binding interfaces presenting different ligand affinities. Biochim.Biophys.Acta, 1804, 2010
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2Y7Y
| APLYSIA CALIFORNICA ACHBP IN APO STATE | Descriptor: | SOLUBLE ACETYLCHOLINE RECEPTOR | Authors: | Ulens, C, Akdemir, A, Jongejan, A, van Elk, R, Bertrand, S, Perrakis, A, Leurs, R, Smit, A.B, Sixma, T.K, Bertrand, D, De Esch, I.J. | Deposit date: | 2011-02-02 | Release date: | 2011-03-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.895 Å) | Cite: | Use of Acetylcholine Binding Protein in the Search for Novel Alpha7 Nicotinic Receptor Ligands. In Silico Docking, Pharmacological Screening, and X-Ray Analysis. J.Med.Chem., 52, 2009
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5MAP
| X-ray generated oxyferrous complex of DtpA from Streptomyces lividans | Descriptor: | DtpA, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Moreno Chicano, T, Chaplin, A.K, Worrall, J.A.R, Strange, R.W, Hough, M.A. | Deposit date: | 2016-11-04 | Release date: | 2017-05-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Photoreduction and validation of haem-ligand intermediate states in protein crystals by in situ single-crystal spectroscopy and diffraction. IUCrJ, 4, 2017
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