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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1Q1C
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![BU of 1q1c by Molmil](/molmil-images/mine/1q1c) | 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
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1PBK
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![BU of 1pbk by Molmil](/molmil-images/mine/1pbk) | 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
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7B9Y
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![BU of 7b9y by Molmil](/molmil-images/mine/7b9y) | Structure of the FKBP51FK1 domain in complex with the macrocyclic SAFit analogue 64a | Descriptor: | 2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-20,21-dihydroxy-25,26-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.3.1.113,17.04,9]nonacosa-1(27),13(29),14,16,24(28),25-hexaene-3,10-dione, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Bauder, M, Meyners, C, Purder, P, Merz, S, Voll, A, Heymann, T, Hausch, F. | Deposit date: | 2020-12-15 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure-Based Design of High-Affinity Macrocyclic FKBP51 Inhibitors. J.Med.Chem., 64, 2021
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7BA0
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![BU of 7ba0 by Molmil](/molmil-images/mine/7ba0) | Structure of the FKBP51FK1 domain in complex with the macrocyclic SAFit analogue 63 | Descriptor: | 2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-20,21-dihydroxy-25,28-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.2.2.113,17.04,9]nonacosa-1(26),13(29),14,16,24,27-hexaene-3,10-dione, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Bauder, M, Meyners, C, Purder, P, Merz, S, Voll, A, Heymann, T, Hausch, F. | Deposit date: | 2020-12-15 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Structure-Based Design of High-Affinity Macrocyclic FKBP51 Inhibitors. J.Med.Chem., 64, 2021
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7B9Z
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![BU of 7b9z by Molmil](/molmil-images/mine/7b9z) | Structure of the FKBP51FK1 domain in complex with the macrocyclic SAFit analogue 35-(E) | Descriptor: | 2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-25,26-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.3.1.113,17.04,9]nonacosa-1(27),13(29),14,16,20,24(28),25-heptaene-3,10-dione, Peptidyl-prolyl cis-trans isomerase FKBP5, isothiocyanate | Authors: | Bauder, M, Meyners, C, Purder, P, Merz, S, Voll, A, Heymann, T, Hausch, F. | Deposit date: | 2020-12-15 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Structure-Based Design of High-Affinity Macrocyclic FKBP51 Inhibitors. J.Med.Chem., 64, 2021
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7DKI
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![BU of 7dki by Molmil](/molmil-images/mine/7dki) | Silk worm FKBP, isoform-1 | Descriptor: | GLYCEROL, Peptidylprolyl isomerase | Authors: | Yuchi, Z, Nayak, B.C. | Deposit date: | 2020-11-24 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Silk worm FKBP, isoform-1 To Be Published
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7AWX
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![BU of 7awx by Molmil](/molmil-images/mine/7awx) | 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
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7AOT
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![BU of 7aot by Molmil](/molmil-images/mine/7aot) | 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
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7AWF
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![BU of 7awf by Molmil](/molmil-images/mine/7awf) | 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
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7AOU
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![BU of 7aou by Molmil](/molmil-images/mine/7aou) | The Fk1 domain of FKBP51 in complex with (2'R,5'S,12'R)-12'-cyclohexyl-2'-[2-(3,4-dimethoxyphenyl)ethyl]-3',19'-dioxa-10',13',16'-triazaspiro[cyclopropane-1,15'- tricyclo[18.3.1.0-5,10]tetracosane]-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]-3',19'-dioxa-10',13',16'-triazaspiro[cyclopropane-1,15'- tricyclo[18.3.1.0-5,10]tetracosane]-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: | 2020-10-15 | Release date: | 2021-04-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Macrocyclic FKBP51 Ligands Define a Transient Binding Mode with Enhanced Selectivity. Angew.Chem.Int.Ed.Engl., 60, 2021
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3KZ7
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![BU of 3kz7 by Molmil](/molmil-images/mine/3kz7) | |
1J4R
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![BU of 1j4r by Molmil](/molmil-images/mine/1j4r) | FK506 BINDING PROTEIN COMPLEXED WITH FKB-001 | Descriptor: | 1-[2,2-DIFLUORO-2-(3,4,5-TRIMETHOXY-PHENYL)-ACETYL]-PIPERIDINE-2-CARBOXYLIC ACID 4-PHENYL-1-(3-PYRIDIN-3-YL-PROPYL)-BUTYL ESTER, FK506-BINDING PROTEIN, GLYCEROL, ... | Authors: | Sheriff, S. | Deposit date: | 2001-10-29 | Release date: | 2001-12-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 2-Aryl-2,2-difluoroacetamide FKBP12 ligands: synthesis and X-ray structural studies. Org.Lett., 3, 2001
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7APS
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![BU of 7aps by Molmil](/molmil-images/mine/7aps) | The Fk1 domain of FKBP51 in complex with (2S)-2-((1S,5R,6R)-10-((3,5-dichlorophenyl)sulfonyl)-2-oxo-5-vinyl-3,10-diazabicyclo[4.3.1]decan-3-yl)propanoic acid | Descriptor: | (2~{S})-2-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]propanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Kolos, M.J, Pomplun, S, Riess, B, Purder, P, Voll, M.A, Merz, S, Bracher, A, Meyners, C, Krewald, V, Hausch, F. | Deposit date: | 2020-10-19 | Release date: | 2021-11-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | Picomolar FKBP inhibitors enabled by a single water-displacing methyl group in bicyclic [4.3.1] aza-amides. Chem Sci, 12, 2021
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7APT
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![BU of 7apt by Molmil](/molmil-images/mine/7apt) | The Fk1 domain of FKBP51 in complex with ((1S,5S,6R)-10-((3,5-dichlorophenyl)sulfonyl)-2-oxo-5-vinyl-3,10-diazabicyclo[4.3.1]decan-3-yl)acetic acid | Descriptor: | 2-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Kolos, M.J, Pomplun, S, Riess, B, Purder, P, Voll, M.A, Merz, S, Bracher, A, Meyners, C, Krewald, V, Hausch, F. | Deposit date: | 2020-10-19 | Release date: | 2021-11-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.131 Å) | Cite: | Picomolar FKBP inhibitors enabled by a single water-displacing methyl group in bicyclic [4.3.1] aza-amides. Chem Sci, 12, 2021
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7APQ
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![BU of 7apq by Molmil](/molmil-images/mine/7apq) | The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one | Descriptor: | (1~{S},5~{S},6~{R})-10-(1,3-benzothiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Kolos, M.J, Pomplun, S, Riess, B, Purder, P, Voll, M.A, Merz, S, Bracher, A, Meyners, C, Krewald, V, Hausch, F. | Deposit date: | 2020-10-19 | Release date: | 2021-11-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Picomolar FKBP inhibitors enabled by a single water-displacing methyl group in bicyclic [4.3.1] aza-amides. Chem Sci, 12, 2021
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7APW
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![BU of 7apw by Molmil](/molmil-images/mine/7apw) | 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
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1QPL
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![BU of 1qpl by Molmil](/molmil-images/mine/1qpl) | FK506 BINDING PROTEIN (12 KDA, HUMAN) COMPLEX WITH L-707,587 | Descriptor: | C32-O-(1-METHYL-INDOL-5-YL) 18-HYDROXY-ASCOMYCIN, PROTEIN (FK506-BINDING PROTEIN) | Authors: | Becker, J.W, Rotonda, J. | Deposit date: | 1999-05-25 | Release date: | 1999-08-16 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | 32-Indolyl ether derivatives of ascomycin: three-dimensional structures of complexes with FK506-binding protein. J.Med.Chem., 42, 1999
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1R9H
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![BU of 1r9h by Molmil](/molmil-images/mine/1r9h) | |
3LUO
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![BU of 3luo by Molmil](/molmil-images/mine/3luo) | Crystal Structure and functional characterization of the thermophilic prolyl isomerase and chaperone SlyD | Descriptor: | Peptidyl-prolyl cis-trans isomerase, Suc-Ala-Leu-Pro-Phe-pNA, ZINC ION | Authors: | Loew, C, Neumann, P, Weininger, U, Stubbs, M.T, Balbach, J. | Deposit date: | 2010-02-18 | Release date: | 2010-03-31 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal Structure Determination and Functional Characterization of the Metallochaperone SlyD from Thermus thermophilus J.Mol.Biol., 398, 2010
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3JXV
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![BU of 3jxv by Molmil](/molmil-images/mine/3jxv) | |
1HXV
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![BU of 1hxv by Molmil](/molmil-images/mine/1hxv) | PPIASE DOMAIN OF THE MYCOPLASMA GENITALIUM TRIGGER FACTOR | Descriptor: | TRIGGER FACTOR | Authors: | Vogtherr, M, Parac, T.N, Maurer, M, Pahl, A, Fiebig, K. | Deposit date: | 2001-01-17 | Release date: | 2002-05-29 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR solution structure and dynamics of the peptidyl-prolyl cis-trans isomerase domain of the trigger factor from Mycoplasma genitalium compared to FK506-binding protein. J.Mol.Biol., 318, 2002
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1JVW
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![BU of 1jvw by Molmil](/molmil-images/mine/1jvw) | TRYPANOSOMA CRUZI MACROPHAGE INFECTIVITY POTENTIATOR (TCMIP) | Descriptor: | MACROPHAGE INFECTIVITY POTENTIATOR | Authors: | Pereira, P.J.B, Vega, M.C, Gonzalez-Rey, E, Fernandez-Carazo, R, Macedo-Ribeiro, S, Gomis-Rueth, F.X, Gonzalez, A, Coll, M. | Deposit date: | 2001-08-31 | Release date: | 2002-06-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Trypanosoma cruzi macrophage infectivity potentiator has a rotamase core and a highly exposed alpha-helix. EMBO Rep., 3, 2002
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1ROT
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![BU of 1rot by Molmil](/molmil-images/mine/1rot) | 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
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1ROU
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![BU of 1rou by Molmil](/molmil-images/mine/1rou) | 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
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