4W9O
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![BU of 4w9o by Molmil](/molmil-images/mine/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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8R5K
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4TW7
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![BU of 4tw7 by Molmil](/molmil-images/mine/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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4W9P
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![BU of 4w9p by Molmil](/molmil-images/mine/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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4TX0
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![BU of 4tx0 by Molmil](/molmil-images/mine/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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4W9Q
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![BU of 4w9q by Molmil](/molmil-images/mine/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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5ZR0
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![BU of 5zr0 by Molmil](/molmil-images/mine/5zr0) | Solution structure of peptidyl-prolyl cis/trans isomerase domain of Trigger Factor in complex with MBP | Descriptor: | Maltose-binding periplasmic protein,Trigger factor | Authors: | Kawagoe, S, Nakagawa, H, Kumeta, H, Ishimori, K, Saio, T. | Deposit date: | 2018-04-21 | Release date: | 2018-08-22 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural insight into prolinecis/transisomerization of unfolded proteins catalyzed by the trigger factor chaperone. J. Biol. Chem., 293, 2018
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6SAF
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![BU of 6saf by Molmil](/molmil-images/mine/6saf) | The Fk1 domain of FKBP51 in complex with (S)-(R)-3-(3,4-dimethoxyphenyl)-1-(3-(2-morpholinoethoxy)phenyl)propyl 1-((1R,4aR,8aR)-4-oxodecahydronaphthalene-1-carbonyl)piperidine-2-carboxylate | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, [(1~{R})-3-(3,4-dimethoxyphenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]propyl] (2~{S})-1-[[(1~{R},4~{a}~{R},8~{a}~{R})-4-oxidanylidene-2,3,4~{a},5,6,7,8,8~{a}-octahydro-1~{H}-naphthalen-1-yl]carbonyl]piperidine-2-carboxylate | Authors: | Feng, X, Sippel, C, Knaup, F, Bracher, A, Staibano, S, Romano, M.F, Hausch, F. | Deposit date: | 2019-07-16 | Release date: | 2019-12-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | A Novel Decalin-Based Bicyclic Scaffold for FKBP51-Selective Ligands. J.Med.Chem., 63, 2020
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3B7X
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![BU of 3b7x by Molmil](/molmil-images/mine/3b7x) | Crystal structure of human FK506-Binding Protein 6 | Descriptor: | FK506-binding protein 6 | Authors: | Walker, J.R, Davis, T, Butler-Cole, C, Paramanathan, R, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-10-31 | Release date: | 2007-11-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Human FK506-Binding Protein 6. To be Published
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2Y78
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![BU of 2y78 by Molmil](/molmil-images/mine/2y78) | Crystal structure of BPSS1823, a Mip-like chaperone from Burkholderia pseudomallei | Descriptor: | CHLORIDE ION, GLYCEROL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE, ... | Authors: | Norville, I.H, O'Shea, K, Sarkar-Tyson, M, Harmer, N.J. | Deposit date: | 2011-01-28 | Release date: | 2011-05-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (0.91 Å) | Cite: | The Structure of a Burkholderia Pseudomallei Immunophilin-Inhibitor Complex Reveals New Approaches to Antimicrobial Development Biochem.J., 437, 2011
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6RCY
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![BU of 6rcy by Molmil](/molmil-images/mine/6rcy) | |
6B4P
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5L1D
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![BU of 5l1d by Molmil](/molmil-images/mine/5l1d) | |
3UQI
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![BU of 3uqi by Molmil](/molmil-images/mine/3uqi) | |
5DIV
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![BU of 5div by Molmil](/molmil-images/mine/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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5D75
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![BU of 5d75 by Molmil](/molmil-images/mine/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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5DIU
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![BU of 5diu by Molmil](/molmil-images/mine/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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5MGX
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![BU of 5mgx by Molmil](/molmil-images/mine/5mgx) | |
1YAT
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![BU of 1yat by Molmil](/molmil-images/mine/1yat) | |
5BXJ
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![BU of 5bxj by Molmil](/molmil-images/mine/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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1Y0O
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5DIT
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![BU of 5dit by Molmil](/molmil-images/mine/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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2AWG
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![BU of 2awg by Molmil](/molmil-images/mine/2awg) | Structure of the PPIase domain of the Human FK506-binding protein 8 | Descriptor: | 38 kDa FK-506 binding protein | Authors: | Walker, J.R, Davis, T, Newman, E.M, Finerty, P, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2005-09-01 | Release date: | 2005-09-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of the human FK-506 binding protein 8 To be Published
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4ODL
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![BU of 4odl by Molmil](/molmil-images/mine/4odl) | |
4ODQ
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![BU of 4odq by Molmil](/molmil-images/mine/4odq) | Structure of SlyD delta-IF from Thermus thermophilus in complex with S3 peptide | Descriptor: | 30S ribosomal protein S3, CALCIUM ION, CHLORIDE ION, ... | Authors: | Quistgaard, E.M, Low, C, Nordlund, P. | Deposit date: | 2014-01-10 | Release date: | 2015-01-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular insights into substrate recognition and catalytic mechanism of the chaperone and FKBP peptidyl-prolyl isomerase SlyD. BMC Biol., 14, 2016
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