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1FKS
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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
1FKH
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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
1J4I
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crystal structure analysis of the FKBP12 complexed with 000308 small molecule
Descriptor: 4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)-THIOMORPHOLINE-3-CARBONYL]-AMINO}-PENTANOIC ACID, FKBP12
Authors:Li, P, Ding, Y, Wang, L, Wu, B, Shu, C, Li, S, Shen, B, Rao, Z.
Deposit date:2001-09-30
Release date:2003-06-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design and structure-based study of new potential FKBP12 inhibitors.
Biophys.J., 85, 2003
1FKL
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ATOMIC STRUCTURE OF FKBP12-RAPAYMYCIN, AN IMMUNOPHILIN-IMMUNOSUPPRESSANT COMPLEX
Descriptor: FK506 BINDING PROTEIN, RAPAMYCIN IMMUNOSUPPRESSANT DRUG
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 (1.7 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
1FKK
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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
1J4R
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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
6SAF
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The Fk1 domain of FKBP51 in complex with (S)-(R)-3-(3,4-dimethoxyphenyl)-1-(3-(2-morpholinoethoxy)phenyl)propyl 1-((1R,4aR,8aR)-4-oxodecahydronaphthalene-1-carbonyl)piperidine-2-carboxylate
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5, [(1~{R})-3-(3,4-dimethoxyphenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]propyl] (2~{S})-1-[[(1~{R},4~{a}~{R},8~{a}~{R})-4-oxidanylidene-2,3,4~{a},5,6,7,8,8~{a}-octahydro-1~{H}-naphthalen-1-yl]carbonyl]piperidine-2-carboxylate
Authors:Feng, X, Sippel, C, Knaup, F, Bracher, A, Staibano, S, Romano, M.F, Hausch, F.
Deposit date:2019-07-16
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A Novel Decalin-Based Bicyclic Scaffold for FKBP51-Selective Ligands.
J.Med.Chem., 63, 2020
1IX5
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Solution structure of the Methanococcus thermolithotrophicus FKBP
Descriptor: FKBP
Authors:Suzuki, R, Nagata, K, Kawakami, M, Nemoto, N, Furutani, M, Adachi, K, Maruyama, T, Tanokura, M.
Deposit date:2002-06-12
Release date:2003-06-10
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Three-dimensional Solution Structure of an Archaeal FKBP with a Dual Function of Peptidyl Prolyl cis-trans Isomerase and Chaperone-like Activities
J.MOL.BIOL., 328, 2003
1J4H
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crystal structure analysis of the FKBP12 complexed with 000107 small molecule
Descriptor: 3-PHENYL-2-{[4-(TOLUENE-4-SULFONYL)-THIOMORPHOLINE-3-CARBONYL]-AMINO}-PROPIONIC ACID ETHYL ESTER, FKBP12
Authors:Li, P, Ding, Y, Wang, L, Wu, B, Shu, C, Li, S, Shen, B, Rao, Z.
Deposit date:2001-09-30
Release date:2003-06-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design and structure-based study of new potential FKBP12 inhibitors.
Biophys.J., 85, 2003
1HXV
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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
6TX4
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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
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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
6TX7
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CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 2-PIPERIDONE
Descriptor: CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP5, SODIUM ION, ...
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 (1.13 Å)
Cite:Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
6TX8
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CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH IMIDAZOLE
Descriptor: CHLORIDE ION, IMIDAZOLE, 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 (1.2 Å)
Cite:Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
6TX5
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CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 4-METHYLIMIDAZOLE
Descriptor: 4-METHYLIMIDAZOLE, Peptidyl-prolyl cis-trans isomerase FKBP5, SODIUM ION
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 (1.08 Å)
Cite:Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
1L1P
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BU of 1l1p by Molmil
Solution Structure of the PPIase Domain from E. coli Trigger Factor
Descriptor: trigger factor
Authors:Kozlov, G, Trempe, J.-F, Perreault, A, Wong, M, Denisov, A, Ghandi, S, Gehring, K, Ekiel, I, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2002-02-19
Release date:2003-06-24
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution Structure of the Closed Form of a Peptidyl-Prolyl Isomerase Reveals the Mechanism of Protein Folding
To be Published
1JVW
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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
7DKI
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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
2KFW
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Solution structure of full-length SlyD from E.coli
Descriptor: FKBP-type peptidyl-prolyl cis-trans isomerase slyD
Authors:Martino, L, He, Y, Hands-Taylor, K.L, Valentine, E.R, Kelly, G, Giancola, C, Conte, M.R.
Deposit date:2009-02-28
Release date:2009-09-15
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The interaction of the Escherichia coli protein SlyD with nickel ions illuminates the mechanism of regulation of its peptidyl-prolyl isomerase activity.
Febs J., 276, 2009
2KE0
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Solution structure of peptidyl-prolyl cis-trans isomerase from Burkholderia pseudomallei
Descriptor: Peptidyl-prolyl cis-trans isomerase
Authors:Zheng, S, Leeper, T, Napuli, A, Nakazawa, S.H, Varani, G, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-01-21
Release date:2009-03-03
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The structure of a Burkholderia pseudomallei immunophilin-inhibitor complex reveals new approaches to antimicrobial development.
Biochem.J., 437, 2011
2K8I
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Solution structure of E.Coli SlyD
Descriptor: Peptidyl-prolyl cis-trans isomerase
Authors:Weininger, U, Balbach, J.
Deposit date:2008-09-11
Release date:2009-03-24
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:NMR solution structure of SlyD from Escherichia coli: spatial separation of prolyl isomerase and chaperone function.
J.Mol.Biol., 387, 2009
7ETT
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The FK1 domain of FKBP51 in complex with peptide-inhibitor hit QFPFV
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5, peptide-inhibitor hit
Authors:Han, J.T, Zhu, Y.C, Pan, D.B, Xue, H.X, Wang, S, Liu, H.X, He, Y.X, Yao, X.J.
Deposit date:2021-05-14
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of pentapeptide-inhibitor hits targeting FKBP51 by combining computational modeling and X-ray crystallography.
Comput Struct Biotechnol J, 19, 2021
7ETU
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BU of 7etu by Molmil
The FK1 domain of FKBP51 in complex with peptide-inhibitor hit SFPFT
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5, peptide-inhibitor hit
Authors:Han, J.T, Zhu, Y.C, Pan, D.B, Xue, H.X, Wang, S, Liu, H.X, He, Y.X, Yao, X.J.
Deposit date:2021-05-14
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Discovery of pentapeptide-inhibitor hits targeting FKBP51 by combining computational modeling and X-ray crystallography.
Comput Struct Biotechnol J, 19, 2021
7F2J
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Crystal structure of AtFKBP53 FKBD in complex with rapamycin
Descriptor: DI(HYDROXYETHYL)ETHER, Peptidyl-prolyl cis-trans isomerase FKBP53, RAPAMYCIN IMMUNOSUPPRESSANT DRUG, ...
Authors:Singh, A.K, Saharan, K, Vasudevan, D.
Deposit date:2021-06-11
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal packing reveals rapamycin-mediated homodimerization of an FK506-binding domain.
Int.J.Biol.Macromol., 206, 2022
7ETV
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The FK1 domain of FKBP51 in complex with peptide-inhibitor hit DFPFV
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5, peptide-inhibitor hit
Authors:Han, J.T, Zhu, Y.C, Pan, D.B, Xue, H.X, Wang, S, Liu, H.X, He, Y.X, Yao, X.J.
Deposit date:2021-05-14
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Discovery of pentapeptide-inhibitor hits targeting FKBP51 by combining computational modeling and X-ray crystallography.
Comput Struct Biotechnol J, 19, 2021

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