Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
4W9O
DownloadVisualize
BU of 4w9o by Molmil
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
8R5K
DownloadVisualize
BU of 8r5k by Molmil
The Fk1 domain of FKBP51 in complex with Antascomicine B
Descriptor: Antascomicine B, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Voll, M.A, Bracher, A, Hausch, F.
Deposit date:2023-11-16
Release date:2024-05-08
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Antascomicin B stabilizes FKBP51-Akt1 complexes as a molecular glue.
Bioorg.Med.Chem.Lett., 104, 2024
4W9P
DownloadVisualize
BU of 4w9p by Molmil
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
4W9Q
DownloadVisualize
BU of 4w9q by Molmil
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
5OBK
DownloadVisualize
BU of 5obk by Molmil
The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-((3,5-dichlorophenyl)sulfonyl)-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
Descriptor: (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Pomplun, S, Sippel, C, Haehle, A, Bracher, A, Hausch, F.
Deposit date:2017-06-28
Release date:2018-04-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1 Å)
Cite:Chemogenomic Profiling of Human and Microbial FK506-Binding Proteins.
J. Med. Chem., 61, 2018
7R0L
DownloadVisualize
BU of 7r0l by Molmil
Structure of the FK1 domain of the FKBP51 G64S variant in complex with SAFit1
Descriptor: 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
Authors:Meyners, C, Hausch, F.
Deposit date:2022-02-02
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Binding pocket stabilization by high-throughput screening of yeast display libraries.
Front Mol Biosci, 9, 2022
7AOT
DownloadVisualize
BU of 7aot by Molmil
The Fk1 domain of FKBP51 in complex with (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0-5,10]tetracosa- 1(24),20,22-triene-4,11,14,17-tetrone
Descriptor: (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0-5,10]tetracosa- 1(24),20,22-triene-4,11,14,17-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Voll, A.M, Meyners, C, Heymann, T, Merz, S, Purder, P, Bracher, A, Hausch, F.
Deposit date:2020-10-15
Release date:2021-04-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Macrocyclic FKBP51 Ligands Define a Transient Binding Mode with Enhanced Selectivity.
Angew.Chem.Int.Ed.Engl., 60, 2021
4LAV
DownloadVisualize
BU of 4lav by Molmil
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
4LAY
DownloadVisualize
BU of 4lay by Molmil
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
4LAW
DownloadVisualize
BU of 4law by Molmil
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
6SAF
DownloadVisualize
BU of 6saf by Molmil
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
3TC5
DownloadVisualize
BU of 3tc5 by Molmil
Selective targeting of disease-relevant protein binding domains by O-phosphorylated natural product derivatives
Descriptor: (11alpha,16alpha)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate, HEXAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Graeber, M, Janczyk, W, Sperl, B, Elumalai, N, Kozany, C, Hausch, F, Holak, T.A, Berg, T.
Deposit date:2011-08-08
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Selective targeting of disease-relevant protein binding domains by o-phosphorylated natural product derivatives.
Acs Chem.Biol., 6, 2011
4TW6
DownloadVisualize
BU of 4tw6 by Molmil
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
4TW8
DownloadVisualize
BU of 4tw8 by Molmil
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
4TW7
DownloadVisualize
BU of 4tw7 by Molmil
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
8CCB
DownloadVisualize
BU of 8ccb by Molmil
The Fk1 domain of FKBP51 in complex with 2-(3-((1R)-1-(((2S)-1-(2-(5-chlorothiophen-2-yl)-2-cyclohexylacetyl)piperidine-2-carbonyl)oxy)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid
Descriptor: 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)-2-cyclohexyl-ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Meyners, C, Knaup, F.H, Walz, C.M, Hausch, F.
Deposit date:2023-01-27
Release date:2023-04-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51.
J.Med.Chem., 66, 2023
8CCA
DownloadVisualize
BU of 8cca by Molmil
The Fk1 domain of FKBP51 in complex with SAFit1
Descriptor: 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Meyners, C, Knaup, F.H, Walz, C.M, Hausch, F.
Deposit date:2023-01-27
Release date:2023-04-26
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51.
J.Med.Chem., 66, 2023
8CCD
DownloadVisualize
BU of 8ccd by Molmil
The Fk1 domain of FKBP51 in complex with 2-(3-((R)-1-(((S)-1-((S)-2-(5-chlorothiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)acetyl)piperidine-2-carbonyl)oxy)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid
Descriptor: 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Meyners, C, Knaup, F.H, Walz, C.M, Hausch, F.
Deposit date:2023-01-27
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51.
J.Med.Chem., 66, 2023
8CCF
DownloadVisualize
BU of 8ccf by Molmil
The Fk1 domain of FKBP51 in complex with 2-(3-((R)-1-(((S)-1-((S)-2-(5-chlorothiophen-2-yl)pent-4-enoyl)piperidine-2-carbonyl)oxy)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid
Descriptor: 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)pent-4-enoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Meyners, C, Knaup, F.H, Walz, C.M, Hausch, F.
Deposit date:2023-01-27
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51.
J.Med.Chem., 66, 2023
8CCH
DownloadVisualize
BU of 8cch by Molmil
The Fk1 domain of FKBP51 in complex with 2-(3-((1R)-1-(((2S)-1-(2-cyclohexyl-2-(thiophen-2-yl)acetyl)piperidine-2-carbonyl)oxy)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid
Descriptor: 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-thiophen-2-yl-ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Meyners, C, Knaup, F.H, Walz, C.M, Hausch, F.
Deposit date:2023-01-27
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51.
J.Med.Chem., 66, 2023
8CCG
DownloadVisualize
BU of 8ccg by Molmil
The Fk1 domain of FKBP51 in complex with (2R,5S,12S)-12-(thiophen-2-yl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15-dimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^5,^10]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone
Descriptor: (2~{R},5~{S},12~{S})-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15-dimethyl-12-thiophen-2-yl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Meyners, C, Knaup, F.H, Walz, C.M, Hausch, F.
Deposit date:2023-01-27
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51.
J.Med.Chem., 66, 2023
8CCE
DownloadVisualize
BU of 8cce by Molmil
The Fk1 domain of FKBP51 in complex with 2-(3-((R)-1-(((S)-1-((S)-2-(5-chlorothiophen-2-yl)butanoyl)piperidine-2-carbonyl)oxy)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid
Descriptor: 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)butanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Meyners, C, Knaup, F.H, Walz, C.M, Hausch, F.
Deposit date:2023-01-27
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51.
J.Med.Chem., 66, 2023
8CCC
DownloadVisualize
BU of 8ccc by Molmil
The Fk1 domain of FKBP51 in complex with 2-(3-((R)-1-(((S)-1-((S)-2-(5-chlorothiophen-2-yl)propanoyl)piperidine-2-carbonyl)oxy)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid
Descriptor: 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)propanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Meyners, C, Knaup, F.H, Walz, C.M, Hausch, F.
Deposit date:2023-01-27
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51.
J.Med.Chem., 66, 2023
7AWX
DownloadVisualize
BU of 7awx by Molmil
Structure of the FKBP51FK1 domain in complex with the macrocyclic SAFit analogue 55
Descriptor: Macrocyclic SAFit analogue 55, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Bauder, M, Meyners, C, Purder, P, Merz, S, Voll, A, Heymann, T, Hausch, F.
Deposit date:2020-11-09
Release date:2021-03-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Design of High-Affinity Macrocyclic FKBP51 Inhibitors.
J.Med.Chem., 64, 2021
7AWF
DownloadVisualize
BU of 7awf by Molmil
The Fk1 domain of FKBP51 in complex with (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^5,^10]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone
Descriptor: (2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Voll, M.A, Meyners, C, Heymann, T, Merz, S, Purder, P, Bracher, A, Hausch, F.
Deposit date:2020-11-07
Release date:2021-04-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Macrocyclic FKBP51 Ligands Define a Transient Binding Mode with Enhanced Selectivity.
Angew.Chem.Int.Ed.Engl., 60, 2021

225158

PDB entries from 2024-09-18

PDB statisticsPDBj update infoContact PDBjnumon