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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
7ETU
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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
6YF1
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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
6YF2
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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
6YF0
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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
6YF3
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BU of 6yf3 by Molmil
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
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
6J2M
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BU of 6j2m by Molmil
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
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
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
6JHN
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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
6JRR
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BU of 6jrr by Molmil
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
6JH6
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BU of 6jh6 by Molmil
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
6JI0
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BU of 6ji0 by Molmil
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
6JGZ
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BU of 6jgz by Molmil
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
1QPL
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BU of 1qpl by Molmil
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
7JMH
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BU of 7jmh by Molmil
Functional Pathways of Biomolecules Retrieved from Single-particle Snapshots - Frame 35 - State 4 (S4)
Descriptor: CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, ZINC ION, ...
Authors:Dashti, A, des Georges, A, Frank, J, Ourmazd, A.
Deposit date:2020-07-31
Release date:2020-08-12
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Retrieving functional pathways of biomolecules from single-particle snapshots.
Nat Commun, 11, 2020
7JMI
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BU of 7jmi by Molmil
Functional Pathways of Biomolecules Retrieved from Single-particle Snapshots - Frame 29 - State 3 (S3)
Descriptor: CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, ZINC ION, ...
Authors:Dashti, A, des Georges, A, Frank, J, Ourmazd, A.
Deposit date:2020-07-31
Release date:2020-08-12
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Retrieving functional pathways of biomolecules from single-particle snapshots.
Nat Commun, 11, 2020
7JMJ
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BU of 7jmj by Molmil
Functional Pathways of Biomolecules Retrieved from Single-particle Snapshots - Frame 37 - State 5 (S5)
Descriptor: CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, ZINC ION, ...
Authors:Dashti, A, des Georges, A, Frank, J, Ourmazd, A.
Deposit date:2020-07-31
Release date:2020-08-12
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Retrieving functional pathways of biomolecules from single-particle snapshots.
Nat Commun, 11, 2020
7JMG
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BU of 7jmg by Molmil
Functional Pathways of Biomolecules Retrieved from Single-particle Snapshots - Frame 22 - State 2 (S2)
Descriptor: CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, ZINC ION, ...
Authors:Dashti, A, des Georges, A, Frank, J, Ourmazd, A.
Deposit date:2020-07-31
Release date:2020-08-12
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Retrieving functional pathways of biomolecules from single-particle snapshots.
Nat Commun, 11, 2020
7JMF
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BU of 7jmf by Molmil
Functional Pathways of Biomolecules Retrieved from Single-particle Snapshots - Frame 42 - State 6 (S6)
Descriptor: CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, ZINC ION, ...
Authors:Dashti, A, des Georges, A, Frank, J, Ourmazd, A.
Deposit date:2020-07-31
Release date:2020-08-12
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Retrieving functional pathways of biomolecules from single-particle snapshots.
Nat Commun, 11, 2020
1R9H
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BU of 1r9h by Molmil
Structural Genomics of C.elegans: FKBP-type Peptidylprolyl Isomerase
Descriptor: FK506 Binding protein family
Authors:Li, S, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2003-10-29
Release date:2003-12-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Genomics of C.elegans: FKBP-type Peptidylprolyl Isomerase
To be Published
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:2022-03-02
Method:SOLUTION NMR
Cite:Three-dimensional structure of the immunophilin-like domain of FKBP59 in solution.
Biochemistry, 35, 1996
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:2022-03-02
Method:SOLUTION NMR
Cite:Three-dimensional structure of the immunophilin-like domain of FKBP59 in solution.
Biochemistry, 35, 1996

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