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
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4JFI
 | | Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with compound 1-[(9S,13R,13aR)-1,3-dimethoxy-8-oxo-5,8,9,10,11,12,13,13a-octahydro-6H-9,13-epiminoazocino[2,1-a]isoquinolin-14-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione | | Descriptor: | 1-[(9S,13R,13aR)-1,3-dimethoxy-8-oxo-5,8,9,10,11,12,13,13a-octahydro-6H-9,13-epiminoazocino[2,1-a]isoquinolin-14-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 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 (1.05 Å) | | Cite: | Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control.
J.Med.Chem., 56, 2013
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4JFK
 | | Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with (1S,6R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-10-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-3,10-diazabicyclo[4.3.1]decan-2-one | | Descriptor: | (1S,6R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-10-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-3,10-diazabicyclo[4.3.1]decan-2-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 (1.15 Å) | | Cite: | Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control.
J.Med.Chem., 56, 2013
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6J2M
 | | Crystal structure of AtFKBP53 C-terminal domain | | Descriptor: | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP53 | | Authors: | Singh, A.K, Vasudevan, D. | | Deposit date: | 2019-01-01 | | Release date: | 2019-12-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | AtFKBP53: a chimeric histone chaperone with functional nucleoplasmin and PPIase domains.
Nucleic Acids Res., 48, 2020
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6JHN
 | | Structure of RyR2 (F/C/Ca2+ dataset) | | Descriptor: | CAFFEINE, CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, ... | | Authors: | Chi, X.M, Gong, D.S, Ren, K, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Zhou, Q, Yan, N. | | Deposit date: | 2019-02-18 | | Release date: | 2019-12-11 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Molecular basis for allosteric regulation of the type 2 ryanodine receptor channel gating by key modulators.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6JRR
 | | Structure of RyR2 (*F/A/C/L-Ca2+ dataset) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ... | | Authors: | Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N. | | Deposit date: | 2019-04-05 | | Release date: | 2019-07-17 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
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6JH6
 | | Structure of RyR2 (F/A/Ca2+ dataset) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Peptidyl-prolyl cis-trans isomerase FKBP1B, RyR2, ... | | Authors: | Chi, X.M, Gong, D.S, Ren, K, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Zhou, Q, Yan, N. | | Deposit date: | 2019-02-17 | | Release date: | 2019-12-11 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Molecular basis for allosteric regulation of the type 2 ryanodine receptor channel gating by key modulators.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6JI0
 | | Structure of RyR2 (F/A/C/Ca2+ dataset) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ... | | Authors: | Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N. | | Deposit date: | 2019-02-19 | | Release date: | 2019-07-17 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
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6JGZ
 | | Structure of RyR2 (F/P/Ca2+ dataset) | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP1B, RyR2, ZINC ION | | Authors: | Chi, X.M, Gong, D.S, Ren, K, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Zhou, Q, Yan, N. | | Deposit date: | 2019-02-16 | | Release date: | 2019-12-11 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Molecular basis for allosteric regulation of the type 2 ryanodine receptor channel gating by key modulators.
Proc.Natl.Acad.Sci.USA, 116, 2019
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4DRO
 | | EVALUATION OF SYNTHETIC FK506 ANALOGS AS LIGANDS FOR FKBP51 AND FKBP52: COMPLEX OF FKBP51 WITH (1R)-3-(3,4-dimethoxyphenyl)-1-phenylpropyl (2S)-1-{[(1R,2S)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidine-2-carboxylate | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1R,2S)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid | | Authors: | Gopalakrishnan, R, Kozany, C, Gaali, S, Kress, C, Hoogeland, B, Bracher, A, Hausch, F. | | Deposit date: | 2012-02-17 | | Release date: | 2012-05-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Evaluation of Synthetic FK506 Analogues as Ligands for the FK506-Binding Proteins 51 and 52.
J.Med.Chem., 55, 2012
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1EYM
 | | FK506 BINDING PROTEIN MUTANT, HOMODIMERIC COMPLEX | | Descriptor: | FK506 BINDING PROTEIN | | Authors: | Rollins, C.T, Rivera, V.M, Woolfson, D.N, Keenan, T, Hatada, M, Adams, S.E, Andrade, L.J, Yaeger, D, van Schravendijk, M.R, Holt, D.A, Gilman, M, Clackson, T. | | Deposit date: | 2000-05-07 | | Release date: | 2000-08-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A ligand-reversible dimerization system for controlling protein-protein interactions.
Proc.Natl.Acad.Sci.USA, 97, 2000
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1F40
 | | SOLUTION STRUCTURE OF FKBP12 COMPLEXED WITH GPI-1046, A NEUROTROPHIC LIGAND | | Descriptor: | (2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE, FK506 BINDING PROTEIN (FKBP12) | | Authors: | Sich, C, Improta, S, Cowley, D.J, Guenet, C, Merly, J.P, Teufel, M, Saudek, V. | | Deposit date: | 2000-06-07 | | Release date: | 2000-11-08 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a neurotrophic ligand bound to FKBP12 and its effects on protein dynamics.
Eur.J.Biochem., 267, 2000
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4DZ3
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4DH0
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4DRK
 | | EVALUATION OF SYNTHETIC FK506 ANALOGS AS LIGANDS FOR FKBP51 AND FKBP52: COMPLEX OF FKBP51 WITH {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid | | Authors: | Gopalakrishnan, R, Kozany, C, Gaali, S, Kress, C, Hoogeland, B, Bracher, A, Hausch, F. | | Deposit date: | 2012-02-17 | | Release date: | 2012-05-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Evaluation of Synthetic FK506 Analogues as Ligands for the FK506-Binding Proteins 51 and 52.
J.Med.Chem., 55, 2012
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1FKH
 | | DESIGN, SYNTHESIS, AND KINETIC EVALUATION OF HIGH-AFFINITY FKBP LIGANDS, AND THE X-RAY CRYSTAL STRUCTURES OF THEIR COMPLEXES WITH FKBP12 | | Descriptor: | 1-CYCLOHEXYL-3-PHENYL-1-PROPYL-1-(3,3-DIMETHYL-1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE, FK506 BINDING PROTEIN | | Authors: | Holt, D.A, Luengo, J.I, Yamashita, D.S, Oh, H.-J, Konialian, A.L, Yen, H.-K, Rozamus, L.W, Brandt, M, Bossard, M.J, Levy, M.A, Eggleston, D.S, Stout, T.J, Liang, J, Schultz, L.W, Clardy, J. | | Deposit date: | 1993-08-05 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | DESIGN, SYNTHESIS, AND KINETIC EVALUATION OF HIGH-AFFINITY FKBP LIGANDS AND THE X-RAY CRYSTAL-STRUCTURES OF THEIR COMPLEXES WITH FKBP12.
J.Am.Chem.Soc., 115, 1993
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4DRM
 | | EVALUATION OF SYNTHETIC FK506 ANALOGS AS LIGANDS FOR FKBP51 AND FKBP52: COMPLEX OF FKBP51 WITH {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1S,2R)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1S,2R)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid | | Authors: | Gopalakrishnan, R, Kozany, C, Gaali, S, Kress, C, Hoogeland, B, Bracher, A, Hausch, F. | | Deposit date: | 2012-02-17 | | Release date: | 2012-05-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Evaluation of Synthetic FK506 Analogues as Ligands for the FK506-Binding Proteins 51 and 52.
J.Med.Chem., 55, 2012
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8X6P
 | | Isomerase Protein | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP1A, SULFATE ION | | Authors: | Guven, O, Demirci, H. | | Deposit date: | 2023-11-21 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Isomerase Protein
To Be Published
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1FKF
 | | ATOMIC STRUCTURE OF FKBP-FK506, AN IMMUNOPHILIN-IMMUNOSUPPRESSANT COMPLEX | | Descriptor: | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, FK506 BINDING PROTEIN | | Authors: | Vanduyne, G.D, Standaert, R.F, Karplus, P.A, Schreiber, S.L, Clardy, J. | | Deposit date: | 1991-05-07 | | Release date: | 1991-07-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Atomic structure of FKBP-FK506, an immunophilin-immunosuppressant complex.
Science, 252, 1991
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1FKT
 | | SOLUTION STRUCTURE OF FKBP, A ROTAMASE ENZYME AND RECEPTOR FOR FK506 AND RAPAMYCIN | | Descriptor: | FK506 AND RAPAMYCIN-BINDING PROTEIN | | Authors: | Michnick, S.W, Rosen, M.K, Wandless, T.J, Karplus, M, Schreiber, S.L. | | Deposit date: | 1992-03-05 | | Release date: | 1994-01-31 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of FKBP, a rotamase enzyme and receptor for FK506 and rapamycin.
Science, 252, 1991
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1FKB
 | | ATOMIC STRUCTURE OF THE RAPAMYCIN HUMAN IMMUNOPHILIN FKBP-12 COMPLEX | | Descriptor: | FK506 BINDING PROTEIN, RAPAMYCIN IMMUNOSUPPRESSANT DRUG | | Authors: | Van Duyne, G.D, Standaert, R.F, Schreiber, S.L, Clardy, J.C. | | Deposit date: | 1992-07-02 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Atomic Structure of the Rapamycin Human Immunophilin Fkbp-12 Complex
J.Am.Chem.Soc., 113, 1991
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1FKR
 | | SOLUTION STRUCTURE OF FKBP, A ROTAMASE ENZYME AND RECEPTOR FOR FK506 AND RAPAMYCIN | | Descriptor: | FK506 AND RAPAMYCIN-BINDING PROTEIN | | Authors: | Michnick, S.W, Rosen, M.K, Wandless, T.J, Karplus, M, Schreiber, S.L. | | Deposit date: | 1992-03-05 | | Release date: | 1994-01-31 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of FKBP, a rotamase enzyme and receptor for FK506 and rapamycin.
Science, 252, 1991
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1FKK
 | | ATOMIC STRUCTURE OF FKBP12, AN IMMUNOPHILIN BINDING PROTEIN | | Descriptor: | FK506 BINDING PROTEIN, SULFATE ION | | Authors: | Wilson, K.P, Sintchak, M.D, Thomson, J.A, Navia, M.A. | | Deposit date: | 1995-08-18 | | Release date: | 1995-12-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Comparative X-ray structures of the major binding protein for the immunosuppressant FK506 (tacrolimus) in unliganded form and in complex with FK506 and rapamycin.
Acta Crystallogr.,Sect.D, 51, 1995
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1FKD
 | | FK-506 BINDING PROTEIN: THREE-DIMENSIONAL STRUCTURE OF THE COMPLEX WITH THE ANTAGONIST L-685,818 | | Descriptor: | 18-HYDROXYASCOMYCIN, FK506 BINDING PROTEIN | | Authors: | Becker, J.W, Rotonda, J, Mckeever, B.M. | | Deposit date: | 1992-12-02 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-07 | | 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
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4DZ2
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