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4DRK
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BU of 4drk by Molmil
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
4DRM
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BU of 4drm by Molmil
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
4DRN
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BU of 4drn by Molmil
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 (1.069 Å)
Cite:Evaluation of Synthetic FK506 Analogues as Ligands for the FK506-Binding Proteins 51 and 52.
J.Med.Chem., 55, 2012
4DRP
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BU of 4drp by Molmil
Evaluation of Synthetic FK506 Analogs as Ligands for the FK506-Binding Proteins 51 and 52: Complex of FKBP51 with 2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(2-((1R,2S)-2-ethyl-1-hydroxy-cyclohexyl)-2-oxoacetyl)piperidine-2-carbonyloxy)propyl)phenoxy)acetic acid from cocrystallization
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 (1.8 Å)
Cite:Evaluation of Synthetic FK506 Analogues as Ligands for the FK506-Binding Proteins 51 and 52.
J.Med.Chem., 55, 2012
4DRQ
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BU of 4drq by Molmil
Exploration of Pipecolate Sulfonamides as Binders of the FK506-Binding Proteins 51 and 52: Complex of FKBP51 with 2-(3-((R)-1-((S)-1-(3,5-dichlorophenylsulfonyl)piperidine-2-carbonyloxy)-3-(3,4-dimethoxy -phenyl)propyl)phenoxy)acetic acid
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1S)-1-[({(2S)-1-[(3,5-dichlorophenyl)sulfonyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid
Authors:Gopalakrishnan, R, Kozany, C, Wang, Y, Hoogeland, B, Bracher, A, Hausch, F, Schneider, S.
Deposit date:2012-02-17
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1 Å)
Cite:Exploration of Pipecolate Sulfonamides as Binders of the FK506-Binding Proteins 51 and 52.
J.Med.Chem., 55, 2012
4DZ3
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BU of 4dz3 by Molmil
Crystal structure of a Peptidyl-prolyl cis-trans isomerase with surface mutation M61H from Burkholderia pseudomallei complexed with FK506
Descriptor: 1,2-ETHANEDIOL, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, ACETATE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-02-29
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:A structural biology approach enables the development of antimicrobials targeting bacterial immunophilins.
Antimicrob.Agents Chemother., 58, 2014
4DZ2
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BU of 4dz2 by Molmil
Crystal structure of a Peptidyl-prolyl cis-trans isomerase with surface mutation R92G from Burkholderia pseudomallei complexed with FK506
Descriptor: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, Peptidyl-prolyl cis-trans isomerase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-02-29
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:A structural biology approach enables the development of antimicrobials targeting bacterial immunophilins.
Antimicrob.Agents Chemother., 58, 2014
3PA7
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BU of 3pa7 by Molmil
Crystal structure of FKBP from plasmodium vivax in complex with tetrapeptide ALPF
Descriptor: 4-mer Peptide ALPF, 70 kDa peptidylprolyl isomerase, putative
Authors:Balakrishna, A.M, Alag, R, Yoon, H.S.
Deposit date:2010-10-18
Release date:2012-02-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural insights into substrate binding by PvFKBP35, a peptidylprolyl cis-trans isomerase from the human malarial parasite Plasmodium vivax
EUKARYOTIC CELL, 12, 2013
4DIP
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BU of 4dip by Molmil
Crystal structure of human Peptidyl-prolyl cis-trans isomerase FKBP14
Descriptor: PHOSPHATE ION, Peptidyl-prolyl cis-trans isomerase FKBP14, SODIUM ION
Authors:Krojer, T, Kiyani, W, Goubin, S, Muniz, J.R.C, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Oppermann, U, Zschocke, J, Yue, W.W, Structural Genomics Consortium (SGC)
Deposit date:2012-01-31
Release date:2012-02-22
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal structure of human Peptidyl-prolyl cis-trans isomerase FKBP14
To be Published
4DH0
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BU of 4dh0 by Molmil
X-ray Crystal Structure of 28-O-Methylrapamycin complexed with FKBP12: Is the Cyclohexyl Moiety Part of the Effector Domain of Rapamycin?
Descriptor: 28-O-Methylrapamycin, Peptidyl-prolyl cis-trans isomerase FKBP1A
Authors:Kallen, J.
Deposit date:2012-01-27
Release date:2012-02-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray Crystal Structure of 28-O-Methylrapamycin complexed with FKBP12: Is the Cyclohexyl Moiety Part of the Effector Domain of Rapamycin?
J.Am.Chem.Soc., 118, 1996
3VAW
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BU of 3vaw by Molmil
Crystal structure of a smt fusion peptidyl-prolyl cis-trans isomerase with surface mutation v3i from burkholderia pseudomallei complexed with fk506
Descriptor: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, Ubiquitin-like protein SMT3,Peptidyl-prolyl cis-trans isomerase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-12-29
Release date:2012-01-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A structural biology approach enables the development of antimicrobials targeting bacterial immunophilins.
Antimicrob.Agents Chemother., 58, 2014
3UQA
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BU of 3uqa by Molmil
Crystal structure of a SMT fusion Peptidyl-prolyl cis-trans isomerase with surface mutation A54E from Burkholderia pseudomallei complexed with FK506
Descriptor: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-11-19
Release date:2011-12-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A structural biology approach enables the development of antimicrobials targeting bacterial immunophilins.
Antimicrob.Agents Chemother., 58, 2014
3UQB
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BU of 3uqb by Molmil
Crystal structure of a SMT Fusion PEPTIDYL-PROLYL CIS-TRANS ISOMERASE with surface mutation D44G from Burkholderia pseudomallei complexed with FK506
Descriptor: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, Ubiquitin-like protein SMT3, Peptidyl-prolyl cis-trans isomerase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-11-19
Release date:2011-11-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A structural biology approach enables the development of antimicrobials targeting bacterial immunophilins.
Antimicrob.Agents Chemother., 58, 2014
3UF8
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BU of 3uf8 by Molmil
Crystal structure of a SMT fusion Peptidyl-prolyl cis-trans isomerase with a G95A surface mutation from Burkholderia pseudomallei complexed with FK506
Descriptor: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, Ubiquitin-like protein SMT3, Peptidyl-prolyl cis-trans isomerase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-10-31
Release date:2011-11-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A structural biology approach enables the development of antimicrobials targeting bacterial immunophilins.
Antimicrob.Agents Chemother., 58, 2014
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
3O5G
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BU of 3o5g by Molmil
Fk1 domain of FKBP51, crystal form I
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Bracher, A, Kozany, C, Thost, A.-K, Hausch, F.
Deposit date:2010-07-28
Release date:2011-06-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural characterization of the PPIase domain of FKBP51, a cochaperone of human Hsp90.
Acta Crystallogr.,Sect.D, 67, 2011
3O5J
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BU of 3o5j by Molmil
Fk1 domain of FKBP51, crystal form III
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Bracher, A, Kozany, C, Thost, A.-K, Hausch, F.
Deposit date:2010-07-28
Release date:2011-06-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural characterization of the PPIase domain of FKBP51, a cochaperone of human Hsp90.
Acta Crystallogr.,Sect.D, 67, 2011
3O5O
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BU of 3o5o by Molmil
Fk1 domain mutant A19T of FKBP51, crystal form III
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5, THIOCYANATE ION
Authors:Bracher, A, Kozany, C, Thost, A.-K, Hausch, F.
Deposit date:2010-07-28
Release date:2011-06-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structural characterization of the PPIase domain of FKBP51, a cochaperone of human Hsp90.
Acta Crystallogr.,Sect.D, 67, 2011
3O5P
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BU of 3o5p by Molmil
Fk1 domain mutant A19T of FKBP51, crystal form IV
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Bracher, A, Kozany, C, Thost, A.-K, Hausch, F.
Deposit date:2010-07-28
Release date:2011-06-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structural characterization of the PPIase domain of FKBP51, a cochaperone of human Hsp90.
Acta Crystallogr.,Sect.D, 67, 2011
3O5E
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BU of 3o5e by Molmil
Fk1 domain of FKBP51, crystal form VI
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Bracher, A, Kozany, C, Thost, A.-K, Hausch, F.
Deposit date:2010-07-28
Release date:2011-06-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural characterization of the PPIase domain of FKBP51, a cochaperone of human Hsp90.
Acta Crystallogr.,Sect.D, 67, 2011
3O5L
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BU of 3o5l by Molmil
Fk1 domain mutant A19T of FKBP51, crystal form I
Descriptor: PENTAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Bracher, A, Kozany, C, Thost, A.-K, Hausch, F.
Deposit date:2010-07-28
Release date:2011-06-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural characterization of the PPIase domain of FKBP51, a cochaperone of human Hsp90.
Acta Crystallogr.,Sect.D, 67, 2011
3O5Q
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BU of 3o5q by Molmil
Fk1 domain mutant A19T of FKBP51, crystal form IV, in presence of DMSO
Descriptor: DIMETHYL SULFOXIDE, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Bracher, A, Kozany, C, Thost, A.-K, Hausch, F.
Deposit date:2010-07-28
Release date:2011-06-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Structural characterization of the PPIase domain of FKBP51, a cochaperone of human Hsp90.
Acta Crystallogr.,Sect.D, 67, 2011
3O5F
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BU of 3o5f by Molmil
Fk1 domain of FKBP51, crystal form VII
Descriptor: CARBONATE ION, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Bracher, A, Kozany, C, Thost, A.-K, Hausch, F.
Deposit date:2010-07-28
Release date:2011-06-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural characterization of the PPIase domain of FKBP51, a cochaperone of human Hsp90.
Acta Crystallogr.,Sect.D, 67, 2011
3O5I
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BU of 3o5i by Molmil
Fk1 domain of FKBP51, crystal form II
Descriptor: ACETATE ION, GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Bracher, A, Kozany, C, Thost, A.-K, Hausch, F.
Deposit date:2010-07-28
Release date:2011-06-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural characterization of the PPIase domain of FKBP51, a cochaperone of human Hsp90.
Acta Crystallogr.,Sect.D, 67, 2011
3O5M
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BU of 3o5m by Molmil
Fk1 domain mutant A19T of FKBP51, crystal form II
Descriptor: GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Bracher, A, Kozany, C, Thost, A.-K, Hausch, F.
Deposit date:2010-07-28
Release date:2011-06-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural characterization of the PPIase domain of FKBP51, a cochaperone of human Hsp90.
Acta Crystallogr.,Sect.D, 67, 2011

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