7ETV
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![BU of 7etv by Molmil](/molmil-images/mine/7etv) | 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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7ETU
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![BU of 7etu by Molmil](/molmil-images/mine/7etu) | 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
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2PPN
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![BU of 2ppn by Molmil](/molmil-images/mine/2ppn) | |
2VN1
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![BU of 2vn1 by Molmil](/molmil-images/mine/2vn1) | Crystal structure of the FK506-binding domain of Plasmodium falciparum FKBP35 in complex with FK506 | Descriptor: | 70 KDA PEPTIDYLPROLYL ISOMERASE, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN | Authors: | Kotaka, M, Alag, R, Ye, H, Preiser, P.R, Yoon, H.S, Lescar, J. | Deposit date: | 2008-01-30 | Release date: | 2008-05-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal Structure of the Fk506 Binding Domain of Plasmodium Falciparum Fkbp35 in Complex with Fk506. Biochemistry, 47, 2008
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8BA6
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![BU of 8ba6 by Molmil](/molmil-images/mine/8ba6) | Structure of the FK1 domain of the FKBP51 G64S variant 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: | Meyners, C, Hausch, F. | Deposit date: | 2022-10-11 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Binding pocket stabilization by high-throughput screening of yeast display libraries. Front Mol Biosci, 9, 2022
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8BAJ
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![BU of 8baj by Molmil](/molmil-images/mine/8baj) | Structure of the FK1 domain of the FKBP51 G64S variant in complex with (1S,5S,6R)-10-((3,5-dichlorophenyl)sulfonyl)-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one | Descriptor: | (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Hausch, F. | Deposit date: | 2022-10-11 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Binding pocket stabilization by high-throughput screening of yeast display libraries. Front Mol Biosci, 9, 2022
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8BK6
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![BU of 8bk6 by Molmil](/molmil-images/mine/8bk6) | A truncated structure of LpMIP with bound inhibitor JK095. | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, Peptidyl-prolyl cis-trans isomerase | Authors: | Whittaker, J.J, Guskov, A, Hellmich, A.U, Goretzki, B. | Deposit date: | 2022-11-08 | Release date: | 2023-09-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.263 Å) | Cite: | Legionella pneumophila macrophage infectivity potentiator protein appendage domains modulate protein dynamics and inhibitor binding. Int.J.Biol.Macromol., 252, 2023
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8BK4
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![BU of 8bk4 by Molmil](/molmil-images/mine/8bk4) | Full length structure of the apo-state LpMIP. | Descriptor: | (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-[(1~{S})-1-pyridin-2-ylethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, GLYCEROL, Macrophage infectivity potentiator, ... | Authors: | Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A. | Deposit date: | 2022-11-08 | Release date: | 2023-09-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Legionella pneumophila macrophage infectivity potentiator protein appendage domains modulate protein dynamics and inhibitor binding. Int.J.Biol.Macromol., 252, 2023
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1J4I
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![BU of 1j4i by Molmil](/molmil-images/mine/1j4i) | 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
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1FKH
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![BU of 1fkh by Molmil](/molmil-images/mine/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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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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1J4H
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![BU of 1j4h by Molmil](/molmil-images/mine/1j4h) | 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
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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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1FKS
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![BU of 1fks by Molmil](/molmil-images/mine/1fks) | 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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6X34
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![BU of 6x34 by Molmil](/molmil-images/mine/6x34) | Pig R615C RyR1 EGTA (all classes, open) | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine Receptor, ZINC ION | Authors: | Woll, K.W, Haji-Ghassemi, O, Van Petegem, F. | Deposit date: | 2020-05-21 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Pathological conformations of disease mutant Ryanodine Receptors revealed by cryo-EM. Nat Commun, 12, 2021
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6YF1
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![BU of 6yf1 by Molmil](/molmil-images/mine/6yf1) | FKBP12 in complex with the BMP potentiator compound 8 at 1.12A resolution | Descriptor: | (1aR,3R,5S,6R,7S,9R,10R,17aS,20S,21R,22S,25R,25aR)-25-Ethyl-10,22-dihydroxy-20-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-5,7-dimethoxy-1a,3,9,21-tetramethyloctadecahydro-2H-6,10-epoxyoxireno[p]pyrido[2,1-c][1,4]oxazacyclotricosine-11,12,18,24(1aH,14H)-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP1A | Authors: | Kallen, J. | Deposit date: | 2020-03-25 | Release date: | 2021-03-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury. Cell Chem Biol, 28, 2021
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6YF2
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![BU of 6yf2 by Molmil](/molmil-images/mine/6yf2) | FKBP12 in complex with the BMP potentiator compound 6 at 1.03A resolution | Descriptor: | (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-23,25-dimethoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14-bis(oxidanyl)-17-(2-oxidanylidenepropyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone, CADMIUM ION, CHLORIDE ION, ... | Authors: | Kallen, J. | Deposit date: | 2020-03-25 | Release date: | 2021-03-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury. Cell Chem Biol, 28, 2021
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6YF0
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![BU of 6yf0 by Molmil](/molmil-images/mine/6yf0) | FKBP12 in complex with the BMP potentiator compound 9 at 1.55 A resolution | Descriptor: | 18-HYDROXYASCOMYCIN, Peptidyl-prolyl cis-trans isomerase FKBP1A, SULFATE ION | Authors: | Kallen, J. | Deposit date: | 2020-03-25 | Release date: | 2021-03-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury. Cell Chem Biol, 28, 2021
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6YF3
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![BU of 6yf3 by Molmil](/molmil-images/mine/6yf3) | FKBP12 in complex with the BMP potentiator compound 10 at 1.00A resolution | Descriptor: | (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-17-ethyl-25-methoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14,23-tris(oxidanyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone, CADMIUM ION, CHLORIDE ION, ... | Authors: | Kallen, J. | Deposit date: | 2020-03-25 | Release date: | 2021-03-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury. Cell Chem Biol, 28, 2021
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1IX5
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![BU of 1ix5 by Molmil](/molmil-images/mine/1ix5) | 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
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1FKL
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![BU of 1fkl by Molmil](/molmil-images/mine/1fkl) | 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
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1FKJ
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![BU of 1fkj by Molmil](/molmil-images/mine/1fkj) | ATOMIC STRUCTURE OF FKBP12-FK506, AN IMMUNOPHILIN IMMUNOSUPPRESSANT COMPLEX | Descriptor: | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, FK506 BINDING PROTEIN | 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
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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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4MSP
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![BU of 4msp by Molmil](/molmil-images/mine/4msp) | Crystal structure of human peptidyl-prolyl cis-trans isomerase FKBP22 (aka FKBP14) containing two EF-hand motifs | Descriptor: | CALCIUM ION, PENTAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase FKBP14, ... | Authors: | Boudko, S.P, Ishikawa, Y, Bachinger, H.P. | Deposit date: | 2013-09-18 | Release date: | 2013-12-25 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of human peptidyl-prolyl cis-trans isomerase FKBP22 containing two EF-hand motifs. Protein Sci., 23, 2014
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4ODL
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![BU of 4odl by Molmil](/molmil-images/mine/4odl) | |