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6TX7
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BU of 6tx7 by Molmil
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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BU of 6tx8 by Molmil
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
6TX6
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BU of 6tx6 by Molmil
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH NICOTINAMIDE
Descriptor: CHLORIDE ION, NICOTINAMIDE, 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 (0.98 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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BU of 6tx5 by Molmil
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
6TXX
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BU of 6txx by Molmil
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH SAFit2
Descriptor: (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Fiegen, D, Draxler, S.W.
Deposit date:2020-01-14
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
2ND5
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BU of 2nd5 by Molmil
Lysine dimethylated FKBP12
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP1A
Authors:Hattori, Y, Sebera, J, Sychrovsky, V, Furuita, K, Sugiki, T, Ohki, I, Ikegami, T, Kobayashi, N, Tanaka, Y, Fujiwara, T, Kojima, C.
Deposit date:2016-05-05
Release date:2017-05-17
Method:SOLUTION NMR
Cite:NMR Observation of Protein Surface Salt Bridges at Neutral pH
To be Published
8R5K
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BU of 8r5k by Molmil
The Fk1 domain of FKBP51 in complex with Antascomicine B
Descriptor: Antascomicine B, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Voll, M.A, Bracher, A, Hausch, F.
Deposit date:2023-11-16
Release date:2024-05-08
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Antascomicin B stabilizes FKBP51-Akt1 complexes as a molecular glue.
Bioorg.Med.Chem.Lett., 104, 2024
8PJ8
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BU of 8pj8 by Molmil
FKBP51FK1 F67E/K60Orn (i, i+7) in complex with SAFit1
Descriptor: 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Meyners, C, Charalampidou, A, Hausch, F.
Deposit date:2023-06-23
Release date:2024-03-06
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Automated Flow Peptide Synthesis Enables Engineering of Proteins with Stabilized Transient Binding Pockets.
Acs Cent.Sci., 10, 2024
2OFN
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BU of 2ofn by Molmil
Solution structure of FK506-binding domain (FKBD)of FKBP35 from Plasmodium falciparum
Descriptor: 70 kDa peptidylprolyl isomerase, putative
Authors:Kang, C.B, Ye, H, Yoon, H.R, Yoon, H.S.
Deposit date:2007-01-04
Release date:2007-12-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of FK506 binding domain (FKBD) of Plasmodium falciparum FK506 binding protein 35 (PfFKBP35).
Proteins, 70, 2007
6VCU
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BU of 6vcu by Molmil
Homo sapiens FKBP12 protein bound with APX879 in P32 space group
Descriptor: ACETATE ION, N'-[(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide, Peptidyl-prolyl cis-trans isomerase FKBP1A
Authors:Gobeil, S, Spicer, L.
Deposit date:2019-12-23
Release date:2020-12-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Leveraging Fungal and Human Calcineurin-Inhibitor Structures, Biophysical Data, and Dynamics To Design Selective and Nonimmunosuppressive FK506 Analogs.
Mbio, 12, 2021
6VCT
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BU of 6vct by Molmil
Mucor circinelloides FKBP12 protein bound with APX879 in C2221 space group
Descriptor: N'-[(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide, Peptidylprolyl isomerase
Authors:Gobeil, S, Spicer, L.
Deposit date:2019-12-23
Release date:2020-12-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Leveraging Fungal and Human Calcineurin-Inhibitor Structures, Biophysical Data, and Dynamics To Design Selective and Nonimmunosuppressive FK506 Analogs.
Mbio, 12, 2021
6VCV
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BU of 6vcv by Molmil
Aspergillus fumigatus FKBP12 protein bound with APX879 in P1 space group
Descriptor: FK506-binding protein 1A, N'-[(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide
Authors:Gobeil, S, Spicer, L.
Deposit date:2019-12-23
Release date:2020-12-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Leveraging Fungal and Human Calcineurin-Inhibitor Structures, Biophysical Data, and Dynamics To Design Selective and Nonimmunosuppressive FK506 Analogs.
Mbio, 12, 2021
2PBC
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BU of 2pbc by Molmil
FK506-binding protein 2
Descriptor: DI(HYDROXYETHYL)ETHER, FK506-binding protein 2
Authors:Walker, J.R, Neculai, D, Davis, T, Butler-Cole, C, Sicheri, F, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2007-03-28
Release date:2007-04-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of FK506-Binding Protein 2
To be Published
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
2PPO
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BU of 2ppo by Molmil
Crystal structure of E60A mutant of FKBP12
Descriptor: FK506-binding protein 1A
Authors:Szep, S, Park, S, VanDuyne, G.D, Saven, J.G.
Deposit date:2007-04-30
Release date:2008-05-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Structural coupling between FKBP12 and buried water.
Proteins, 74, 2009
2LKN
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BU of 2lkn by Molmil
Solution structure of the PPIase domain of human aryl-hydrocarbon receptor-interacting protein (AIP)
Descriptor: AH receptor-interacting protein
Authors:Linnert, M, Lin, Y, Manns, A, Haupt, K, Paschke, A, Fischer, G, Weiwad, M, Luecke, C.
Deposit date:2011-10-17
Release date:2012-10-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The FKBP-Type Domain of the Human Aryl Hydrocarbon Receptor-Interacting Protein Reveals an Unusual Hsp90 Interaction.
Biochemistry, 52, 2013
2PPN
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BU of 2ppn by Molmil
Crystal structure of FKBP12
Descriptor: FK506-binding protein 1A
Authors:Szep, S, Park, S, VanDuyne, G.D, Saven, J.G.
Deposit date:2007-04-30
Release date:2008-05-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (0.92 Å)
Cite:Structural coupling between FKBP12 and buried water.
Proteins, 74, 2009
2PPP
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BU of 2ppp by Molmil
Crystal structure of E60Q mutant of FKBP12
Descriptor: FK506-binding protein 1A
Authors:Szep, S, Park, S, VanDuyne, G.D, Saven, J.F.
Deposit date:2007-04-30
Release date:2008-09-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (0.94 Å)
Cite:Structural coupling between FKBP12 and buried water.
Proteins, 74, 2009
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
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
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
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

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数据于2024-08-07公开中

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