Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
8CHJ
DownloadVisualize
BU of 8chj by Molmil
Human FKBP12 in complex with (1S,5S,6R)-10-((R)-(3,5-dichlorophenyl)sulfonimidoyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,10-diazabicyclo[4.3.1]decan-2-one
Descriptor: (1S,5S,6R)-10-[[3,5-bis(chloranyl)phenyl]sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Meyners, C, Purder, P.L, Hausch, F.
Deposit date:2023-02-08
Release date:2023-09-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.697 Å)
Cite:Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogues.
Jacs Au, 3, 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
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
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
8PPZ
DownloadVisualize
BU of 8ppz by Molmil
Co-crystal structure of FKBP12, compound 7 and the FRB fragment of mTOR
Descriptor: (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-[(~{E})-2-(2-chlorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, ACETATE ION, CALCIUM ION, ...
Authors:Meyners, C, Deutscher, R.C.E, Hausch, F.
Deposit date:2023-07-10
Release date:2023-08-09
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Co-crystal structure of FKBP12, compound 7 and the FRB fragment of mTOR
Chemrxiv, 2023
5DIT
DownloadVisualize
BU of 5dit by Molmil
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
5DIU
DownloadVisualize
BU of 5diu by Molmil
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
5DIV
DownloadVisualize
BU of 5div by Molmil
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
3O5G
DownloadVisualize
BU of 3o5g by Molmil
Fk1 domain of FKBP51, crystal form I
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Bracher, A, Kozany, C, Thost, A.-K, Hausch, F.
Deposit date:2010-07-28
Release date:2011-06-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural characterization of the PPIase domain of FKBP51, a cochaperone of human Hsp90.
Acta Crystallogr.,Sect.D, 67, 2011
3O5J
DownloadVisualize
BU of 3o5j by Molmil
Fk1 domain of FKBP51, crystal form III
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Bracher, A, Kozany, C, Thost, A.-K, Hausch, F.
Deposit date:2010-07-28
Release date:2011-06-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural characterization of the PPIase domain of FKBP51, a cochaperone of human Hsp90.
Acta Crystallogr.,Sect.D, 67, 2011
3O5O
DownloadVisualize
BU of 3o5o by Molmil
Fk1 domain mutant A19T of FKBP51, crystal form III
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5, THIOCYANATE ION
Authors:Bracher, A, Kozany, C, Thost, A.-K, Hausch, F.
Deposit date:2010-07-28
Release date:2011-06-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structural characterization of the PPIase domain of FKBP51, a cochaperone of human Hsp90.
Acta Crystallogr.,Sect.D, 67, 2011
3O5P
DownloadVisualize
BU of 3o5p by Molmil
Fk1 domain mutant A19T of FKBP51, crystal form IV
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Bracher, A, Kozany, C, Thost, A.-K, Hausch, F.
Deposit date:2010-07-28
Release date:2011-06-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structural characterization of the PPIase domain of FKBP51, a cochaperone of human Hsp90.
Acta Crystallogr.,Sect.D, 67, 2011
3O5E
DownloadVisualize
BU of 3o5e by Molmil
Fk1 domain of FKBP51, crystal form VI
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Bracher, A, Kozany, C, Thost, A.-K, Hausch, F.
Deposit date:2010-07-28
Release date:2011-06-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural characterization of the PPIase domain of FKBP51, a cochaperone of human Hsp90.
Acta Crystallogr.,Sect.D, 67, 2011
3O5L
DownloadVisualize
BU of 3o5l by Molmil
Fk1 domain mutant A19T of FKBP51, crystal form I
Descriptor: PENTAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Bracher, A, Kozany, C, Thost, A.-K, Hausch, F.
Deposit date:2010-07-28
Release date:2011-06-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural characterization of the PPIase domain of FKBP51, a cochaperone of human Hsp90.
Acta Crystallogr.,Sect.D, 67, 2011
3O5Q
DownloadVisualize
BU of 3o5q by Molmil
Fk1 domain mutant A19T of FKBP51, crystal form IV, in presence of DMSO
Descriptor: DIMETHYL SULFOXIDE, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Bracher, A, Kozany, C, Thost, A.-K, Hausch, F.
Deposit date:2010-07-28
Release date:2011-06-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Structural characterization of the PPIase domain of FKBP51, a cochaperone of human Hsp90.
Acta Crystallogr.,Sect.D, 67, 2011
8BA6
DownloadVisualize
BU of 8ba6 by Molmil
Structure of the FK1 domain of the FKBP51 G64S variant 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:Meyners, C, Hausch, F.
Deposit date:2022-10-11
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
8BAJ
DownloadVisualize
BU of 8baj by Molmil
Structure of the FK1 domain of the FKBP51 G64S variant 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:Meyners, C, Hausch, F.
Deposit date:2022-10-11
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Binding pocket stabilization by high-throughput screening of yeast display libraries.
Front Mol Biosci, 9, 2022
4TX0
DownloadVisualize
BU of 4tx0 by Molmil
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
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
7APW
DownloadVisualize
BU of 7apw by Molmil
The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
Descriptor: (1S,5S,6R)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Voll, A.M, Kolos, J.M, Pomplun, S, Riess, B, Purder, P, Merz, S, Bracher, A, Meyners, C, Krewald, V, Hausch, F.
Deposit date:2020-10-20
Release date:2021-11-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Picomolar FKBP inhibitors enabled by a single water-displacing methyl group in bicyclic [4.3.1] aza-amides.
Chem Sci, 12, 2021

227111

數據於2024-11-06公開中

PDB statisticsPDBj update infoContact PDBjnumon