5HW7
 
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5HW6
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5HUA
 | | Structure of C. glabrata FKBP12-FK506 complex | | Descriptor: | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, FK506-binding protein 1 | | Authors: | Schumacher, M.A. | | Deposit date: | 2016-01-27 | | Release date: | 2016-09-14 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structures of Pathogenic Fungal FKBP12s Reveal Possible Self-Catalysis Function.
Mbio, 7, 2016
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5HTG
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5HT1
 | | Structure of apo C. glabrata FKBP12 | | Descriptor: | FK506-binding protein 1 | | Authors: | Schumacher, M.A. | | Deposit date: | 2016-01-26 | | Release date: | 2016-09-14 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.651 Å) | | Cite: | Structures of Pathogenic Fungal FKBP12s Reveal Possible Self-Catalysis Function.
Mbio, 7, 2016
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5HKG
 | | Total chemical synthesis, refolding and crystallographic structure of a fully active immunophilin: calstabin 2 (FKBP12.6). | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, ... | | Authors: | Sirigu, S, Huet, T, Bacchi, M, Jullian, M, Fould, B, Ferry, G, Vuillard, L, Chavas, L, Puget, K, Nosjean, O, Boutin, J.A. | | Deposit date: | 2016-01-14 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Total chemical synthesis, refolding, and crystallographic structure of fully active immunophilin calstabin 2 (FKBP12.6).
Protein Sci., 25, 2016
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5GPG
 | | Co-crystal structure of the FK506 binding domain of human FKBP25, Rapamycin and the FRB domain of human mTOR | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP3, RAPAMYCIN IMMUNOSUPPRESSANT DRUG, Serine/threonine-protein kinase mTOR | | Authors: | Lee, H.B, Lee, S.Y, Rhee, H.W, Lee, C.W. | | Deposit date: | 2016-08-02 | | Release date: | 2016-10-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Proximity-Directed Labeling Reveals a New Rapamycin-Induced Heterodimer of FKBP25 and FRB in Live Cells
Acs Cent.Sci., 2, 2016
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5GL1
 | | Structure of RyR1 in an open state | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP1A, Ryanodine receptor 1, ZINC ION | | Authors: | Bai, X.C, Yan, Z, Wu, J.P, Yan, N. | | Deposit date: | 2016-07-07 | | Release date: | 2016-08-24 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (5.7 Å) | | Cite: | The Central domain of RyR1 is the transducer for long-range allosteric gating of channel opening
Cell Res., 26, 2016
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5GL0
 | | Structure of RyR1 in a closed state (C4 conformer) | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP1A, Ryanodine receptor 1, ZINC ION | | Authors: | Bai, X.C, Yan, Z, Wu, J.P, Yan, N. | | Deposit date: | 2016-07-07 | | Release date: | 2016-08-24 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | The Central domain of RyR1 is the transducer for long-range allosteric gating of channel opening
Cell Res., 26, 2016
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5GKZ
 | | Structure of RyR1 in a closed state (C3 conformer) | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP1A, Ryanodine receptor 1, ZINC ION | | Authors: | Bai, X.C, Yan, Z, Wu, J.P, Yan, N. | | Deposit date: | 2016-07-07 | | Release date: | 2016-08-24 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | The Central domain of RyR1 is the transducer for long-range allosteric gating of channel opening
Cell Res., 26, 2016
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5GKY
 | | Structure of RyR1 in a closed state (C1 conformer) | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP1A, Ryanodine receptor 1, ZINC ION | | Authors: | Bai, X.C, Yan, Z, Wu, J.P, Yan, N. | | Deposit date: | 2016-07-07 | | Release date: | 2016-08-24 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | The Central domain of RyR1 is the transducer for long-range allosteric gating of channel opening
Cell Res., 26, 2016
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5DIV
 | | The Fk1 domain of FKBP51 in complex with the new synthetic ligand (S)-N-(1-carbamoylcyclopentyl)-1-((S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl)piperidine-2-carboxamide | | Descriptor: | (2S)-N-(1-carbamoylcyclopentyl)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxamide, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Gaali, S, Feng, X, Sippel, C, Bracher, A, Hausch, F. | | Deposit date: | 2015-09-01 | | Release date: | 2016-03-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Rapid, Structure-Based Exploration of Pipecolic Acid Amides as Novel Selective Antagonists of the FK506-Binding Protein 51.
J.Med.Chem., 59, 2016
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5DIU
 | | The Fk1 domain of FKBP51 in complex with the new synthetic ligand 2-(3-((R)-1-((S)-1-((S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl)piperidine-2-carboxamido)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1R)-1-[({(2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)amino]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid | | Authors: | Gaali, S, Feng, X, Sippel, C, Bracher, A, Hausch, F. | | Deposit date: | 2015-09-01 | | Release date: | 2016-03-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Rapid, Structure-Based Exploration of Pipecolic Acid Amides as Novel Selective Antagonists of the FK506-Binding Protein 51.
J.Med.Chem., 59, 2016
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5DIT
 | | The Fk1 domain of FKBP51 in complex with the new synthetic ligand (1R)-3-(3,4-dimethoxyphenyl)-1-f3-[2-(morpholin-4-yl)ethoxy]phenylgpropyl(2S)-1-[(2S,3R)-2-cyclohexyl-3-hydroxybutanoyl]piperidine-2-carboxylate | | Descriptor: | (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S,3R)-2-cyclohexyl-3-hydroxybutanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Feng, X, Sippel, C, Bracher, A, Hausch, F. | | Deposit date: | 2015-09-01 | | Release date: | 2015-10-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure-Affinity Relationship Analysis of Selective FKBP51 Ligands.
J.Med.Chem., 58, 2015
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5D75
 | | Crystal structure of Human FKBD25 in complex with FK506 | | Descriptor: | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500), Peptidyl-prolyl cis-trans isomerase FKBP3 | | Authors: | Rajan, S, Prakash, A, Yoon, H.S. | | Deposit date: | 2015-08-13 | | Release date: | 2016-04-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Crystal structure of the FK506 binding domain of human FKBP25 in complex with FK506.
Protein Sci., 25, 2016
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5BXJ
 | | Complex of the Fk1 domain mutant A19T of FKBP51 with 4-Nitrophenol | | Descriptor: | P-NITROPHENOL, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Wu, D, Tao, X, Chen, Z, Han, J, Jia, W, Li, X, Wang, Z, He, Y.X. | | Deposit date: | 2015-06-09 | | Release date: | 2016-05-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | The environmental endocrine disruptor p-nitrophenol interacts with FKBP51, a positive regulator of androgen receptor and inhibits androgen receptor signaling in human cells
J. Hazard. Mater., 307, 2016
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5B8I
 | | Crystal structure of Calcineurin A and Calcineurin B in complex with FKBP12 and FK506 from Coccidioides immitis RS | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, ... | | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID), Fox III, D, Dranow, D.M, Lorimer, D.D, Edwards, T.E. | | Deposit date: | 2015-05-03 | | Release date: | 2015-05-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents.
Nat Commun, 10, 2019
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4W9Q
 | | The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-5-ethyl-3,10-diazabicyclo[4.3.1]decan-2-one | | Descriptor: | (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-5-ethyl-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Pomplun, S, Wang, Y, Kirschner, K, Kozany, C, Bracher, A, Hausch, F. | | Deposit date: | 2014-08-27 | | Release date: | 2014-12-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Rational Design and Asymmetric Synthesis of Potent and Neurotrophic Ligands for FK506-Binding Proteins (FKBPs).
Angew.Chem.Int.Ed.Engl., 54, 2015
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4W9P
 | | The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one | | Descriptor: | (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, ACETATE ION, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Pomplun, S, Wang, Y, Kirschner, K, Kozany, C, Bracher, A, Hausch, F. | | Deposit date: | 2014-08-27 | | Release date: | 2014-12-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Rational Design and Asymmetric Synthesis of Potent and Neurotrophic Ligands for FK506-Binding Proteins (FKBPs).
Angew.Chem.Int.Ed.Engl., 54, 2015
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4W9O
 | | The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1R)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one | | Descriptor: | (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1R)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, ACETATE ION, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Pomplun, S, Wang, Y, Kirschner, K, Kozany, C, Bracher, A, Hausch, F. | | Deposit date: | 2014-08-27 | | Release date: | 2014-12-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Rational Design and Asymmetric Synthesis of Potent and Neurotrophic Ligands for FK506-Binding Proteins (FKBPs).
Angew.Chem.Int.Ed.Engl., 54, 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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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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4TW6
 | | The Fk1 domain of FKBP51 in complex with iFit1 | | Descriptor: | (3-{(1R)-3-(3,4-dimethoxyphenyl)-1-[({(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)pent-4-enoyl]piperidin-2-yl}carbonyl)oxy]propyl}phenoxy)acetic acid, GLYCEROL, 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 (1.4 Å) | | Cite: | Selective inhibitors of the FK506-binding protein 51 by induced fit.
Nat.Chem.Biol., 11, 2015
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4R0X
 | | Allosteric coupling of conformational transitions in the FK1 domain of FKBP51 near the site of steroid receptor interaction | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | LeMaster, D.M, Mustafi, S.M, Brecher, M, Zhang, J, Heroux, A, Li, H.M, Hernandez, G. | | Deposit date: | 2014-08-02 | | Release date: | 2015-05-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Coupling of Conformational Transitions in the N-terminal Domain of the 51-kDa FK506-binding Protein (FKBP51) Near Its Site of Interaction with the Steroid Receptor Proteins.
J.Biol.Chem., 290, 2015
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