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Aspergillus fumigatus FKBP12 P90G protein bound with FK506 in P212121 space group
Descriptor:	8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, FK506-binding protein 1A
Authors:	Tonthat, N.K, Schumacher, M.A.
Deposit date:	2016-01-29
Release date:	2016-09-14
Last modified:	2024-03-06
Method:	X-RAY DIFFRACTION (2.05 Å)
Cite:	Structures of Pathogenic Fungal FKBP12s Reveal Possible Self-Catalysis Function. Mbio, 7, 2016

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

5I98

Structure of apo FKBP12(P104G) from C. albicans
Descriptor:	FK506-binding protein 1
Authors:	Schumacher, M.A.
Deposit date:	2016-02-19
Release date:	2016-09-14
Last modified:	2024-03-06
Method:	X-RAY DIFFRACTION (1.999 Å)
Cite:	Structures of Pathogenic Fungal FKBP12s Reveal Possible Self-Catalysis Function. Mbio, 7, 2016

5I7P

Crystal structure of Fkbp12-IF(SlyD), a chimeric protein of human Fkbp12 and the insert in flap domain of Ecoli SlyD
Descriptor:	Peptidyl-prolyl cis-trans isomerase FKBP1A,FKBP-type peptidyl-prolyl cis-trans isomerase SlyD,Peptidyl-prolyl cis-trans isomerase FKBP1A
Authors:	Jakob, R.P, Knappe, T.A, Dobbek, H, Schmid, F.X.
Deposit date:	2016-02-18
Release date:	2017-03-08
Last modified:	2024-01-10
Method:	X-RAY DIFFRACTION (2.002 Å)
Cite:	Structural and Functional Analysis of Chaperone Domain Insertion in Fkbp12 To Be Published

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

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

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

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

8CCB

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

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

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

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

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

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

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

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

6TX4

CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 2-PYRIDONE
Descriptor:	1~{H}-pyridin-2-one, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP5, ...
Authors:	Fiegen, D, Draxler, S.W.
Deposit date:	2020-01-13
Release date:	2020-05-27
Last modified:	2024-01-24
Method:	X-RAY DIFFRACTION (1.06 Å)
Cite:	Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51. J.Med.Chem., 63, 2020

6TX9

CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH HYDANTOIN
Descriptor:	Peptidyl-prolyl cis-trans isomerase FKBP5, SODIUM ION, imidazolidine-2,4-dione
Authors:	Fiegen, D, Draxler, S.W.
Deposit date:	2020-01-13
Release date:	2020-05-27
Last modified:	2024-01-24
Method:	X-RAY DIFFRACTION (1.42 Å)
Cite:	Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51. J.Med.Chem., 63, 2020

8CHI

Human FKBP12 in complex with (1S,5S,6R)-10-((S)-3,5-dichloro-N-methylphenylsulfonimidoyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,10-diazabicyclo[4.3.1]decan-2-one
Descriptor:	(1S,5S,6R)-10-[S-[3,5-bis(chloranyl)phenyl]-N-methyl-sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, DIMETHYL SULFOXIDE, Peptidyl-prolyl cis-trans isomerase FKBP1A
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 (1.7 Å)
Cite:	Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogues. Jacs Au, 3, 2023

8CHP

The FK1 domain of FKBP51 in complex with (1S,5S,6R)-10-((S)-(3,5-dichlorophenyl)sulfinyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,10-diazabicyclo[4.3.1]decan-2-one
Descriptor:	(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfinyl-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5
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 Å)
Cite:	Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogues. Jacs Au, 3, 2023

8CHR

The FK1 domain of FKBP51 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, Peptidyl-prolyl cis-trans isomerase FKBP5
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 (1.1 Å)
Cite:	Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogues. Jacs Au, 3, 2023

8CHN

The FK1 domain of FKBP51 in complex with (1S,5S,6R)-10-((S)-(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, Peptidyl-prolyl cis-trans isomerase FKBP5
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 (0.99 Å)
Cite:	Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogues. Jacs Au, 3, 2023

8CHK

Human FKBP12 in complex with (1S,5S,6R)-10-((S)-(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, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Peptidyl-prolyl cis-trans isomerase FKBP1A
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 (1.55 Å)
Cite:	Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogues. Jacs Au, 3, 2023

8CHL

Human FKBP12 in complex with (1S,5S,6R)-9-((3,5-dichlorophenyl)sulfonyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,9-diazabicyclo[4.2.1]nonan-2-one
Descriptor:	(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, CADMIUM ION, DIMETHYL SULFOXIDE, ...
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 (1.4 Å)
Cite:	Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogues. Jacs Au, 3, 2023

8CHQ

The FK1 domain of FKBP51 in complex with (1S,5S,6R)-10-((S)-3,5-dichloro-N-methylphenylsulfonimidoyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,10-diazabicyclo[4.3.1]decan-2-one
Descriptor:	(1S,5S,6R)-10-[S-[3,5-bis(chloranyl)phenyl]-N-methyl-sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5
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 (1.01 Å)
Cite:	Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogues. Jacs Au, 3, 2023

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Total results:	468
Displayed results:	25
Sorted by:	Hit score (from highest)
Query:	PF00254