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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
7AWX
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BU of 7awx by Molmil
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
7AOT
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BU of 7aot by Molmil
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
7AWF
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BU of 7awf by Molmil
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
7AOU
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BU of 7aou by Molmil
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
5DIU
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BU of 5diu by Molmil
The Fk1 domain of FKBP51 in complex with the new synthetic ligand 2-(3-((R)-1-((S)-1-((S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl)piperidine-2-carboxamido)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1R)-1-[({(2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)amino]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid
Authors:Gaali, S, Feng, X, Sippel, C, Bracher, A, Hausch, F.
Deposit date:2015-09-01
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Rapid, Structure-Based Exploration of Pipecolic Acid Amides as Novel Selective Antagonists of the FK506-Binding Protein 51.
J.Med.Chem., 59, 2016
5D75
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BU of 5d75 by Molmil
Crystal structure of Human FKBD25 in complex with FK506
Descriptor: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500), Peptidyl-prolyl cis-trans isomerase FKBP3
Authors:Rajan, S, Prakash, A, Yoon, H.S.
Deposit date:2015-08-13
Release date:2016-04-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal structure of the FK506 binding domain of human FKBP25 in complex with FK506.
Protein Sci., 25, 2016
5DIT
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BU of 5dit by Molmil
The Fk1 domain of FKBP51 in complex with the new synthetic ligand (1R)-3-(3,4-dimethoxyphenyl)-1-f3-[2-(morpholin-4-yl)ethoxy]phenylgpropyl(2S)-1-[(2S,3R)-2-cyclohexyl-3-hydroxybutanoyl]piperidine-2-carboxylate
Descriptor: (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S,3R)-2-cyclohexyl-3-hydroxybutanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Feng, X, Sippel, C, Bracher, A, Hausch, F.
Deposit date:2015-09-01
Release date:2015-10-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-Affinity Relationship Analysis of Selective FKBP51 Ligands.
J.Med.Chem., 58, 2015
3CGN
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BU of 3cgn by Molmil
Crystal Structure of thermophilic SlyD
Descriptor: Peptidyl-prolyl cis-trans isomerase, SULFATE ION
Authors:Neumann, P, Loew, C, Stubbs, M.T, Balbach, J.
Deposit date:2008-03-06
Release date:2009-03-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure Determination and Functional Characterization of the Metallochaperone SlyD from Thermus thermophilus
J.Mol.Biol., 398, 2010
3EY6
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BU of 3ey6 by Molmil
Crystal structure of the FK506-binding domain of human FKBP38
Descriptor: FK506-binding protein 8
Authors:Parthier, C, Maestre-Martinez, M, Neumann, P, Edlich, F, Fischer, G, Luecke, C, Stubbs, M.T.
Deposit date:2008-10-19
Release date:2009-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:A charge-sensitive loop in the FKBP38 catalytic domain modulates Bcl-2 binding.
J.Mol.Recognit., 24, 2011
5DIV
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BU of 5div by Molmil
The Fk1 domain of FKBP51 in complex with the new synthetic ligand (S)-N-(1-carbamoylcyclopentyl)-1-((S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl)piperidine-2-carboxamide
Descriptor: (2S)-N-(1-carbamoylcyclopentyl)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxamide, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Gaali, S, Feng, X, Sippel, C, Bracher, A, Hausch, F.
Deposit date:2015-09-01
Release date:2016-03-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Rapid, Structure-Based Exploration of Pipecolic Acid Amides as Novel Selective Antagonists of the FK506-Binding Protein 51.
J.Med.Chem., 59, 2016
3CGM
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BU of 3cgm by Molmil
Crystal structure of thermophilic SlyD
Descriptor: GLYCEROL, NICKEL (II) ION, Peptidyl-prolyl cis-trans isomerase, ...
Authors:Loew, C, Neumann, P, Stubbs, M.T, Balbach, J.
Deposit date:2008-03-06
Release date:2009-03-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Crystal Structure Determination and Functional Characterization of the Metallochaperone SlyD from Thermus thermophilus
J.Mol.Biol., 398, 2010
2KI3
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BU of 2ki3 by Molmil
Structural and biochemical characterization of FK506 binding domain from Plasmodium vivax
Descriptor: 70 kDa peptidylprolyl isomerase, putative
Authors:Alag, R, Yoon, H.S, Shin, J.
Deposit date:2009-04-21
Release date:2010-04-14
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:NMR assignments of the FK506-binding domain of FK506-binding protein 35 from Plasmodium vivax
Biomol.Nmr Assign., 3, 2009
2KR7
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BU of 2kr7 by Molmil
solution structure of Helicobacter pylori SlyD
Descriptor: FKBP-type peptidyl-prolyl cis-trans isomerase slyD
Authors:Cheng, T, Li, H, Xia, W, Sze, K, Sun, H.
Deposit date:2009-12-07
Release date:2010-12-15
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:solution structure of Helicobacter pylori SlyD
To be Published
2KO7
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BU of 2ko7 by Molmil
Solution structure of peptidyl-prolyl cis-trans isomerase from Burkholderia pseudomallei complexed with Cycloheximide-N-ethylethanoate
Descriptor: Peptidyl-prolyl cis-trans isomerase, ethyl (4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}-2,6-dioxopiperidin-1-yl)acetate
Authors:Zheng, S, Leeper, T, Varani, G, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-09-11
Release date:2009-09-29
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
2L2S
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BU of 2l2s by Molmil
Solution structure of peptidyl-prolyl cis-trans isomerase from Burkholderia pseudomallei complexed with 1-{[(4-methylphenyl)thio]acetyl}piperidine
Descriptor: 1-{[(4-methylphenyl)sulfanyl]acetyl}piperidine, Peptidyl-prolyl cis-trans isomerase
Authors:Zheng, S, Barnwal, R, Leeper, T, Varani, G, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-08-27
Release date:2010-09-22
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of peptidyl-prolyl cis-trans isomerase from Burkholderia pseudomallei complexed with 1-{[(4-methylphenyl)thio]acetyl}piperidine
To be Published
2LGO
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BU of 2lgo by Molmil
Solution NMR structure of a FKBP-type peptidyl-prolyl cis-trans isomerase from Giardia lamblia, Seattle Structural Genomics Center for Infectious Disease target GilaA.00840.a
Descriptor: FKBP
Authors:Buchko, G.W, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-07-29
Release date:2011-08-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of a putative FKBP-type peptidyl-propyl cis-trans isomerase from Giardia lamblia.
J.Biomol.Nmr, 57, 2013
7OXG
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BU of 7oxg by Molmil
ttSlyD FKBP domain with M8A pseudo-wild-type S2 peptide
Descriptor: 30S ribosomal protein S2, CHLORIDE ION, IMIDAZOLE, ...
Authors:Pazicky, S, Lei, J, Loew, C.
Deposit date:2021-06-22
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Impact of distant peptide substrate residues on enzymatic activity of SlyD.
Cell.Mol.Life Sci., 79, 2022
7OXI
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BU of 7oxi by Molmil
ttSlyD with W4A pseudo-wild-type S2 peptide
Descriptor: 30S ribosomal protein S2, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase
Authors:Pazicky, S, Lei, J, Loew, C.
Deposit date:2021-06-22
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Impact of distant peptide substrate residues on enzymatic activity of SlyD.
Cell.Mol.Life Sci., 79, 2022
7OXK
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BU of 7oxk by Molmil
ttSlyD with W4K pseudo-wild-type S2 peptide
Descriptor: 30S ribosomal protein S2, Peptidyl-prolyl cis-trans isomerase
Authors:Pazicky, S, Lei, J, Loew, C.
Deposit date:2021-06-22
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Impact of distant peptide substrate residues on enzymatic activity of SlyD.
Cell.Mol.Life Sci., 79, 2022
7OXH
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BU of 7oxh by Molmil
ttSlyD with pseudo-wild-type S2 peptide
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 30S ribosomal protein S2, CHLORIDE ION, ...
Authors:Pazicky, S, Lei, J, Loew, C.
Deposit date:2021-06-22
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Impact of distant peptide substrate residues on enzymatic activity of SlyD.
Cell.Mol.Life Sci., 79, 2022
7OXJ
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BU of 7oxj by Molmil
ttSlyD with M8A pseudo-wild-type S2 peptide
Descriptor: 30S ribosomal protein S2, CHLORIDE ION, Fragment of 30S ribosomal protein S2 peptide, ...
Authors:Pazicky, S, Lei, J, Loew, C.
Deposit date:2021-06-22
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Impact of distant peptide substrate residues on enzymatic activity of SlyD.
Cell.Mol.Life Sci., 79, 2022
5OBK
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BU of 5obk by Molmil
The Fk1 domain of FKBP51 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:Pomplun, S, Sippel, C, Haehle, A, Bracher, A, Hausch, F.
Deposit date:2017-06-28
Release date:2018-04-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1 Å)
Cite:Chemogenomic Profiling of Human and Microbial FK506-Binding Proteins.
J. Med. Chem., 61, 2018
1BKF
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BU of 1bkf by Molmil
FK506 BINDING PROTEIN FKBP MUTANT R42K/H87V COMPLEX WITH IMMUNOSUPPRESSANT FK506
Descriptor: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, FK506 BINDING PROTEIN
Authors:Itoh, S, Decenzo, M.T, Livingston, D.J, Pearlman, D.A, Navia, M.A.
Deposit date:1995-10-18
Release date:1996-08-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Conformation of Fk506 in X-Ray Structures of its Complexes with Human Recombinant Fkbp12 Mutants
Bioorg.Med.Chem.Lett., 5, 1995
1BL4
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BU of 1bl4 by Molmil
FKBP MUTANT F36V COMPLEXED WITH REMODELED SYNTHETIC LIGAND
Descriptor: PROTEIN (FK506 BINDING PROTEIN), {3-[3-(3,4-DIMETHOXY-PHENYL)-1-(1-{1-[2-(3,4,5-TRIMETHOXY-PHENYL)-BUTYRYL]-PIPERIDIN-2YL}-VINYLOXY)-PROPYL]-PHENOXY}-ACETIC ACID
Authors:Hatada, M.H, Clackson, T, Yang, W, Rozamus, L.W, Amara, J, Rollins, C.T, Stevenson, L.F, Magari, S.R, Wood, S.A, Courage, N.L, Lu, X, Cerasoli Junior, F, Gilman, M, Holt, D.
Deposit date:1998-07-23
Release date:1998-09-02
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Redesigning an FKBP-ligand interface to generate chemical dimerizers with novel specificity.
Proc.Natl.Acad.Sci.USA, 95, 1998

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