4TW8
| The Fk1-Fk2 domains of FKBP52 in complex with iFit-FL | Descriptor: | 2-(5-{[({3-[(1R)-1-[({(2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetyl)amino]methyl}-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid, Peptidyl-prolyl cis-trans isomerase FKBP4 | Authors: | Gaali, S, Kirschner, A, Cuboni, S, Hartmann, J, Kozany, C, Balsevich, G, Namendorf, C, Fernandez-Vizarra, P, Almeida, O.F.X, Ruehter, G, Uhr, M, Schmidt, M.V, Touma, C, Bracher, A, Hausch, F. | Deposit date: | 2014-06-30 | Release date: | 2014-11-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.003 Å) | Cite: | Selective inhibitors of the FK506-binding protein 51 by induced fit. Nat.Chem.Biol., 11, 2015
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4TW7
| The Fk1 domain of FKBP51 in complex with iFit4 | Descriptor: | (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Gaali, S, Kirschner, A, Cuboni, S, Hartmann, J, Kozany, C, Balsevich, G, Namendorf, C, Fernandez-Vizarra, P, Almeida, O.F.X, Ruehter, G, Uhr, M, Schmidt, M.V, Touma, C, Bracher, A, Hausch, F. | Deposit date: | 2014-06-30 | Release date: | 2014-11-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Selective inhibitors of the FK506-binding protein 51 by induced fit. Nat.Chem.Biol., 11, 2015
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4TX0
| The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-(2-methoxyethoxy)-3-(2-methoxyethyl)-3,10-diazabicyclo[4.3.1]decan-2-one | Descriptor: | (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-(2-methoxyethoxy)-3-(2-methoxyethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Bischoff, M, Sippel, C, Bracher, A, Hausch, F. | Deposit date: | 2014-07-02 | Release date: | 2014-10-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Stereoselective Construction of the 5-Hydroxy Diazabicyclo[4.3.1]decane-2-one Scaffold, a Privileged Motif for FK506-Binding Proteins. Org.Lett., 16, 2014
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4N19
| Structural basis of conformational transitions in the active site and 80 s loop in the FK506 binding protein FKBP12 | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP1A, SULFATE ION | Authors: | Mustafi, S.M, Brecher, M.B, Zhang, J, Li, H.M, Lemaster, D.M, Hernandez, G. | Deposit date: | 2013-10-03 | Release date: | 2014-02-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural basis of conformational transitions in the active site and 80's loop in the FK506-binding protein FKBP12. Biochem.J., 458, 2014
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4JYS
| Crystal structure of FKBP25 from Plasmodium Vivax | Descriptor: | CHLORIDE ION, IMIDAZOLE, Peptidyl-prolyl cis-trans isomerase | Authors: | Sreekanth, R, Yoon, H.S. | Deposit date: | 2013-04-01 | Release date: | 2014-02-12 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of Plasmodium vivax FK506-binding protein 25 reveals conformational changes responsible for its noncanonical activity Proteins, 82, 2014
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4NNR
| FKBP13-FK506 Complex | Descriptor: | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, Peptidyl-prolyl cis-trans isomerase FKBP2 | Authors: | Schultz, L.W, Martin, P.K, Liang, J, Schreiber, S.L, Clardy, J. | Deposit date: | 2013-11-18 | Release date: | 2014-02-05 | Last modified: | 2019-11-13 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Atomic structure of the Immunophilin FKBP13-FK506 Complex: Insights into the Composite Binding Surface for Calcineurin J.Am.Chem.Soc., 116, 1994
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4IQ2
| P21 crystal form of FKBP12.6 | Descriptor: | MALONIC ACID, Peptidyl-prolyl cis-trans isomerase FKBP1B | Authors: | Chen, H, Mustafi, S.M, Li, H.M, LeMaster, D.M, Hernandez, G. | Deposit date: | 2013-01-10 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure and conformational flexibility of the unligated FK506-binding protein FKBP12.6. Acta Crystallogr.,Sect.D, 70, 2014
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4IQC
| P3121 crystal form of FKBP12.6 | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP1B | Authors: | Chen, H, Mustafi, S.M, Li, H.M, LeMaster, D.M, Hernandez, G. | Deposit date: | 2013-01-11 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.903 Å) | Cite: | Crystal structure and conformational flexibility of the unligated FK506-binding protein FKBP12.6. Acta Crystallogr.,Sect.D, 70, 2014
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4MSP
| Crystal structure of human peptidyl-prolyl cis-trans isomerase FKBP22 (aka FKBP14) containing two EF-hand motifs | Descriptor: | CALCIUM ION, PENTAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase FKBP14, ... | Authors: | Boudko, S.P, Ishikawa, Y, Bachinger, H.P. | Deposit date: | 2013-09-18 | Release date: | 2013-12-25 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of human peptidyl-prolyl cis-trans isomerase FKBP22 containing two EF-hand motifs. Protein Sci., 23, 2014
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2M2A
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4MGV
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2MF9
| Solution structure of the N-terminal domain of human FKBP38 (FKBP38NTD) | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP8 | Authors: | Kang, C, Ye, H, Simon, B, Sattler, M, Yoon, H.S. | Deposit date: | 2013-10-08 | Release date: | 2013-11-06 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Functional role of the flexible N-terminal extension of FKBP38 in catalysis. Sci Rep, 3, 2013
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4J4O
| Crystal structure of FK506 binding domain of plasmodium VIVAX FKBP35 in complex with D44 | Descriptor: | 70 kDa peptidylprolyl isomerase, putative, GLYCEROL, ... | Authors: | Sreekanth, R, Harikishore, A, Yoon, H.S. | Deposit date: | 2013-02-07 | Release date: | 2013-09-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Small molecule Plasmodium FKBP35 inhibitor as a potential antimalaria agent. Sci Rep, 3, 2013
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4J4N
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4JFJ
| Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with compound (1S,6R)-10-(1,3-benzothiazol-6-ylsulfonyl)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one | Descriptor: | (1S,6R)-10-(1,3-benzothiazol-6-ylsulfonyl)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Wang, Y, Kirschner, A, Fabian, A, Gopalakrishnan, R, Kress, C, Hoogeland, B, Koch, U, Kozany, C, Bracher, A, Hausch, F. | Deposit date: | 2013-02-28 | Release date: | 2013-08-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control. J.Med.Chem., 56, 2013
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4JFM
| Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with 2-(3,4-dimethoxyphenoxy)ethyl (2S)-1-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperidine-2-carboxylate | Descriptor: | 2-(3,4-dimethoxyphenoxy)ethyl (2S)-1-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Wang, Y, Kirschner, A, Fabian, A, Gopalakrishnan, R, Kress, C, Hoogeland, B, Koch, U, Kozany, C, Bracher, A, Hausch, F. | Deposit date: | 2013-02-28 | Release date: | 2013-08-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control. J.Med.Chem., 56, 2013
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4JFL
| Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with 6-({(1S,5R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-2-oxo-3,9-diazabicyclo[3.3.1]non-9-yl}sulfonyl)-1,3-benzothiazol-2(3H)-one | Descriptor: | 6-({(1S,5R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-2-oxo-3,9-diazabicyclo[3.3.1]non-9-yl}sulfonyl)-1,3-benzothiazol-2(3H)-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Wang, Y, Kirschner, A, Fabian, A, Gopalakrishnan, R, Kress, C, Hoogeland, B, Koch, U, Kozany, C, Bracher, A, Hausch, F. | Deposit date: | 2013-02-28 | Release date: | 2013-08-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control. J.Med.Chem., 56, 2013
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4JFI
| Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with compound 1-[(9S,13R,13aR)-1,3-dimethoxy-8-oxo-5,8,9,10,11,12,13,13a-octahydro-6H-9,13-epiminoazocino[2,1-a]isoquinolin-14-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione | Descriptor: | 1-[(9S,13R,13aR)-1,3-dimethoxy-8-oxo-5,8,9,10,11,12,13,13a-octahydro-6H-9,13-epiminoazocino[2,1-a]isoquinolin-14-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Wang, Y, Kirschner, A, Fabian, A, Gopalakrishnan, R, Kress, C, Hoogeland, B, Koch, U, Kozany, C, Bracher, A, Hausch, F. | Deposit date: | 2013-02-28 | Release date: | 2013-08-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control. J.Med.Chem., 56, 2013
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4JFK
| Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with (1S,6R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-10-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-3,10-diazabicyclo[4.3.1]decan-2-one | Descriptor: | (1S,6R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-10-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Wang, Y, Kirschner, A, Fabian, A, Gopalakrishnan, R, Kress, C, Hoogeland, B, Koch, U, Kozany, C, Bracher, A, Hausch, F. | Deposit date: | 2013-02-28 | Release date: | 2013-08-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control. J.Med.Chem., 56, 2013
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4LAX
| Crystal Structure Analysis of FKBP52, Complex with FK506 | Descriptor: | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Bracher, A, Kozany, C, Haehle, A, Wild, P, Zacharias, M, Hausch, F. | Deposit date: | 2013-06-20 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.007 Å) | Cite: | Crystal Structures of the Free and Ligand-Bound FK1-FK2 Domain Segment of FKBP52 Reveal a Flexible Inter-Domain Hinge. J.Mol.Biol., 425, 2013
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4LAV
| Crystal Structure Analysis of FKBP52, Crystal Form II | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP4, SULFATE ION | Authors: | Bracher, A, Kozany, C, Haehle, A, Wild, P, Zacharias, M, Hausch, F. | Deposit date: | 2013-06-20 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of the Free and Ligand-Bound FK1-FK2 Domain Segment of FKBP52 Reveal a Flexible Inter-Domain Hinge. J.Mol.Biol., 425, 2013
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4LAY
| Crystal Structure Analysis of FKBP52, Complex with I63 | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP4, {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid | Authors: | Bracher, A, Kozany, C, Haehle, A, Wild, P, Zacharias, M, Hausch, F. | Deposit date: | 2013-06-20 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structures of the Free and Ligand-Bound FK1-FK2 Domain Segment of FKBP52 Reveal a Flexible Inter-Domain Hinge. J.Mol.Biol., 425, 2013
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4LAW
| Crystal Structure Analysis of FKBP52, Crystal Form III | Descriptor: | DIMETHYL SULFOXIDE, Peptidyl-prolyl cis-trans isomerase FKBP4 | Authors: | Bracher, A, Kozany, C, Haehle, A, Wild, P, Zacharias, M, Hausch, F. | Deposit date: | 2013-06-20 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structures of the Free and Ligand-Bound FK1-FK2 Domain Segment of FKBP52 Reveal a Flexible Inter-Domain Hinge. J.Mol.Biol., 425, 2013
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4C02
| Crystal structure of human ACVR1 (ALK2) in complex with FKBP12.6 and dorsomorphin | Descriptor: | 1,2-ETHANEDIOL, 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine, ACTIVIN RECEPTOR TYPE-1, ... | Authors: | Williams, E, Riesebos, E, Vollmar, M, Krojer, T, Bradley, A, Shrestha, L, Kupinska, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2013-07-31 | Release date: | 2013-08-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Crystal Structure of Human Acvr1 (Alk2) in Complex with Fkbp12.6 And Dorsomorphin Ph D Thesis
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4BF8
| Fpr4 PPI domain | Descriptor: | FPR4 | Authors: | Monneau, Y, Mackereth, C. | Deposit date: | 2013-03-15 | Release date: | 2013-07-31 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Structure and Activity of the Peptidyl-Prolyl Isomerase Domain from the Histone Chaperone Fpr4 Towards Histone H3 Proline Isomerization J.Biol.Chem., 288, 2013
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