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4TW8
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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
1ROT
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BU of 1rot by Molmil
STRUCTURE OF FKBP59-I, THE N-TERMINAL DOMAIN OF A 59 KDA FK506-BINDING PROTEIN, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: FKBP59-I
Authors:Craescu, C.T, Rouviere, N, Popescu, A, Cerpolini, E, Lebeau, M.-C, Baulieu, E.-E, Mispelter, J.
Deposit date:1996-06-14
Release date:1996-12-07
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Three-dimensional structure of the immunophilin-like domain of FKBP59 in solution.
Biochemistry, 35, 1996
1ROU
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BU of 1rou by Molmil
STRUCTURE OF FKBP59-I, THE N-TERMINAL DOMAIN OF A 59 KDA FK506-BINDING PROTEIN, NMR, 22 STRUCTURES
Descriptor: FKBP59-I
Authors:Craescu, C.T, Rouviere, N, Popescu, A, Cerpolini, E, Lebeau, M.-C, Baulieu, E.-E, Mispelter, J.
Deposit date:1996-06-14
Release date:1996-12-07
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Three-dimensional structure of the immunophilin-like domain of FKBP59 in solution.
Biochemistry, 35, 1996
4TW7
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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
4TX0
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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
1Q1C
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BU of 1q1c by Molmil
Crystal structure of N(1-260) of human FKBP52
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, FK506-binding protein 4
Authors:Wu, B, Li, P, Lou, Z, Ding, Y, Shu, C, Shen, B, Rao, Z.
Deposit date:2003-07-18
Release date:2004-06-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:3D structure of human FK506-binding protein 52: Implications for the assembly of the glucocorticoid receptor/Hsp90/immunophilin heterocomplex
Proc.Natl.Acad.Sci.USA, 101, 2004
2D9F
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BU of 2d9f by Molmil
Solution structure of RUH-047, an FKBP domain from human cDNA
Descriptor: FK506-binding protein 8 variant
Authors:Ruhul Momen, A.Z.M, Hirota, H, Koshiba, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-12-09
Release date:2006-06-09
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of RUH-047, an FKBP domain from human cDNA
To be Published
1PBK
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BU of 1pbk by Molmil
HOMOLOGOUS DOMAIN OF HUMAN FKBP25
Descriptor: FKBP25, RAPAMYCIN IMMUNOSUPPRESSANT DRUG
Authors:Liang, J, Hung, D.T, Schreiber, S.L, Clardy, J.
Deposit date:1995-09-01
Release date:1996-10-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the human 25 kDa FK506 binding protein complexed with rapamycin.
J.Am.Chem.Soc., 118, 1996
2DG3
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BU of 2dg3 by Molmil
Wildtype FK506-binding protein complexed with Rapamycin
Descriptor: FK506-binding protein 1A, GLYCEROL, RAPAMYCIN IMMUNOSUPPRESSANT DRUG
Authors:Buckle, A.M.
Deposit date:2006-03-08
Release date:2006-04-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Energetic and structural analysis of the role of tryptophan 59 in FKBP12
Biochemistry, 42, 2003
1QPF
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BU of 1qpf by Molmil
FK506 BINDING PROTEIN (12 KDA, HUMAN) COMPLEX WITH L-709,858
Descriptor: C32-O-(1-ETHYL-INDOL-5-YL)ASCOMYCIN, PROTEIN (FK506-BINDING PROTEIN), heptyl beta-D-glucopyranoside
Authors:Becker, J.W, Rotonda, J.
Deposit date:1999-05-24
Release date:1999-08-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:32-Indolyl ether derivatives of ascomycin: three-dimensional structures of complexes with FK506-binding protein.
J.Med.Chem., 42, 1999
2FKE
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BU of 2fke by Molmil
FK-506-BINDING PROTEIN: THREE-DIMENSIONAL STRUCTURE OF THE COMPLEX WITH THE ANTAGONIST L-685,818
Descriptor: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, FK506 BINDING PROTEIN
Authors:Becker, J.W, Mckeever, B.M, Rotonda, J.
Deposit date:1993-01-27
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:FK-506-binding protein: three-dimensional structure of the complex with the antagonist L-685,818.
J.Biol.Chem., 268, 1993
2F2D
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BU of 2f2d by Molmil
Solution structure of the FK506-binding domain of human FKBP38
Descriptor: 38 kDa FK-506 binding protein homolog, FKBP38
Authors:Maestre-Martinez, M, Edlich, F, Jarczowski, F, Weiwad, M, Fischer, G, Luecke, C.
Deposit date:2005-11-16
Release date:2006-05-02
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution Structure of the FK506-Binding Domain of Human FKBP38
J.BIOMOL.NMR, 34, 2006
2F4E
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BU of 2f4e by Molmil
N-terminal domain of FKBP42 from Arabidopsis thaliana
Descriptor: AtFKBP42
Authors:Weiergraber, O.H, Eckhoff, A, Granzin, J.
Deposit date:2005-11-23
Release date:2006-01-10
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Crystal structure of a plant immunophilin domain involved in regulation of MDR-type ABC transporters.
Febs Lett., 580, 2006
8CCB
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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
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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
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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
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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
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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
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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
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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
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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
8CHI
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BU of 8chi by Molmil
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
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BU of 8chp by Molmil
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
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BU of 8chr by Molmil
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
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BU of 8chn by Molmil
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

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