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6TX4
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CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 2-PYRIDONE
分子名称: 1~{H}-pyridin-2-one, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP5, ...
著者Fiegen, D, Draxler, S.W.
登録日2020-01-13
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
6TX9
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CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH HYDANTOIN
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP5, SODIUM ION, imidazolidine-2,4-dione
著者Fiegen, D, Draxler, S.W.
登録日2020-01-13
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
6TX7
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CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 2-PIPERIDONE
分子名称: CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP5, SODIUM ION, ...
著者Fiegen, D, Draxler, S.W.
登録日2020-01-13
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
6TX8
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CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH IMIDAZOLE
分子名称: CHLORIDE ION, IMIDAZOLE, Peptidyl-prolyl cis-trans isomerase FKBP5, ...
著者Fiegen, D, Draxler, S.W.
登録日2020-01-13
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
6TX5
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CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 4-METHYLIMIDAZOLE
分子名称: 4-METHYLIMIDAZOLE, Peptidyl-prolyl cis-trans isomerase FKBP5, SODIUM ION
著者Fiegen, D, Draxler, S.W.
登録日2020-01-13
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
6RCY
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CRYSTAL STRUCTURE OF FK1 DOMAIN OF FKBP52 IN COMPLEX WITH A BIO-INSPIRED HYBRID FLUORESCENT LIGAND
分子名称: (2~{S})-5-carbamimidamido-2-[[(2~{S})-2-[[(2~{S})-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperidin-2-yl]carbonylamino]-4-phenyl-butanoyl]amino]pentanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP4
著者Li de la Sierra-Gallay, I, Byrne, C.
登録日2019-04-12
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Bioinspired Hybrid Fluorescent Ligands for the FK1 Domain of FKBP52.
J.Med.Chem., 63, 2020
6OQA
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Crystal structure of CEP250 bound to FKBP12 in the presence of FK506-like novel natural product
分子名称: (3R,4E,7E,10R,11S,12R,13S,16R,17R,24aS)-11,17-dihydroxy-10,12,16-trimethyl-3-[(2R)-1-phenylbutan-2-yl]-6,9,10,11,12,13,14,15,16,17,22,23,24,24a-tetradecahydro-3H-13,17-epoxypyrido[2,1-c][1,4]oxazacyclohenicosine-1,18,19(21H)-trione, 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ...
著者Lee, S.-J, Shigdel, U.K, Townson, S.A, Verdine, G.L.
登録日2019-04-26
公開日2020-04-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Genomic discovery of an evolutionarily programmed modality for small-molecule targeting of an intractable protein surface.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VSI
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Crystal structure of FKBP12 of Candida auris
分子名称: Peptidylprolyl isomerase, SULFATE ION
著者Li, Z, Li, H, Hernandez, G, LeMaster, D.
登録日2020-02-11
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Crystal structure and transient dimerization for the FKBP12 protein from the pathogenic fungus Candida auris.
Biochem.Biophys.Res.Commun., 525, 2020
6O49
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BU of 6o49 by Molmil
CRYSTAL STRUCTURE OF SMT FUSION PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FROM BURKHOLDERIA PSEUDOMALLEI COMPLEXED WITH SF339
分子名称: (2~{S})-~{N}-[3-oxidanylidene-3-[(3,4,5-trimethoxyphenyl)amino]propyl]-1-(phenylmethyl)sulfonyl-piperidine-2-carboxamide, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-02-28
公開日2020-02-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献CRYSTAL STRUCTURE OF SMT FUSION PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FROM BURKHOLDERIA PSEUDOMALLEI COMPLEXED WITH SF339
to be published
6O4A
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CRYSTAL STRUCTURE OF SMT FUSION PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FROM BURKHOLDERIA PSEUDOMALLEI COMPLEXED WITH SF355
分子名称: 2-(pyridin-3-ylcarbonylamino)ethyl (2~{S})-1-(phenylmethyl)sulfonylpiperidine-2-carboxylate, CALCIUM ION, Ubiquitin-like protein SMT3,Peptidyl-prolyl cis-trans isomerase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-02-28
公開日2020-02-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献CRYSTAL STRUCTURE OF SMT FUSION PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FROM BURKHOLDERIA PSEUDOMALLEI COMPLEXED WITH SF355
to be published
6SAF
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BU of 6saf by Molmil
The Fk1 domain of FKBP51 in complex with (S)-(R)-3-(3,4-dimethoxyphenyl)-1-(3-(2-morpholinoethoxy)phenyl)propyl 1-((1R,4aR,8aR)-4-oxodecahydronaphthalene-1-carbonyl)piperidine-2-carboxylate
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP5, [(1~{R})-3-(3,4-dimethoxyphenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]propyl] (2~{S})-1-[[(1~{R},4~{a}~{R},8~{a}~{R})-4-oxidanylidene-2,3,4~{a},5,6,7,8,8~{a}-octahydro-1~{H}-naphthalen-1-yl]carbonyl]piperidine-2-carboxylate
著者Feng, X, Sippel, C, Knaup, F, Bracher, A, Staibano, S, Romano, M.F, Hausch, F.
登録日2019-07-16
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献A Novel Decalin-Based Bicyclic Scaffold for FKBP51-Selective Ligands.
J.Med.Chem., 63, 2020
6JH6
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BU of 6jh6 by Molmil
Structure of RyR2 (F/A/Ca2+ dataset)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Peptidyl-prolyl cis-trans isomerase FKBP1B, RyR2, ...
著者Chi, X.M, Gong, D.S, Ren, K, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Zhou, Q, Yan, N.
登録日2019-02-17
公開日2019-12-11
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Molecular basis for allosteric regulation of the type 2 ryanodine receptor channel gating by key modulators.
Proc.Natl.Acad.Sci.USA, 116, 2019
6JGZ
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BU of 6jgz by Molmil
Structure of RyR2 (F/P/Ca2+ dataset)
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP1B, RyR2, ZINC ION
著者Chi, X.M, Gong, D.S, Ren, K, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Zhou, Q, Yan, N.
登録日2019-02-16
公開日2019-12-11
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Molecular basis for allosteric regulation of the type 2 ryanodine receptor channel gating by key modulators.
Proc.Natl.Acad.Sci.USA, 116, 2019
6JHN
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BU of 6jhn by Molmil
Structure of RyR2 (F/C/Ca2+ dataset)
分子名称: CAFFEINE, CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, ...
著者Chi, X.M, Gong, D.S, Ren, K, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Zhou, Q, Yan, N.
登録日2019-02-18
公開日2019-12-11
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Molecular basis for allosteric regulation of the type 2 ryanodine receptor channel gating by key modulators.
Proc.Natl.Acad.Sci.USA, 116, 2019
6J2M
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BU of 6j2m by Molmil
Crystal structure of AtFKBP53 C-terminal domain
分子名称: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP53
著者Singh, A.K, Vasudevan, D.
登録日2019-01-01
公開日2019-12-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献AtFKBP53: a chimeric histone chaperone with functional nucleoplasmin and PPIase domains.
Nucleic Acids Res., 48, 2020
6TZ6
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BU of 6tz6 by Molmil
Crystal Structure of Candida Albicans Calcineurin A, Calcineurin B, FKBP12 and FK506 (Tacrolimus)
分子名称: 1,2-ETHANEDIOL, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, ...
著者Fox III, D, Lukacs, C.M.
登録日2019-08-10
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents.
Nat Commun, 10, 2019
6TZ8
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Crystal structure of Cryptococcus neoformans Calceineurin A, Calcineurin B, and FKBP12 with FK-506
分子名称: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, Calcineurin subunit B, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-08-10
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents.
Nat Commun, 10, 2019
6TZ7
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BU of 6tz7 by Molmil
Crystal Structure of Aspergillus fumigatus Calcineurin A, Calcineurin B, FKBP12 and FK506 (Tacrolimus)
分子名称: 1,2-ETHANEDIOL, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, ...
著者Fox III, D, Horanyi, P.S.
登録日2019-08-10
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents.
Nat Commun, 10, 2019
6I1S
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BU of 6i1s by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with FKBP12 and the inhibitor E6201
分子名称: (4~{S},5~{R},6~{Z},9~{S},10~{S},12~{E})-16-(ethylamino)-4,5-dimethyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione, 1,2-ETHANEDIOL, Activin receptor type-1, ...
著者Williams, E.P, Pinkas, D.M, Fortin, J, Newman, J.A, Bradshaw, W.J, Mahajan, P, Kupinska, K, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2018-10-30
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Mutant ACVR1 Arrests Glial Cell Differentiation to Drive Tumorigenesis in Pediatric Gliomas.
Cancer Cell, 37, 2020
6JIU
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BU of 6jiu by Molmil
Structure of RyR2 (F/A/C/L-Ca2+/Ca2+CaM dataset)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
著者Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
登録日2019-02-23
公開日2019-07-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
6JI8
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Structure of RyR2 (F/apoCaM dataset)
分子名称: Calmodulin-1, Peptidyl-prolyl cis-trans isomerase FKBP1B, RyR2, ...
著者Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
登録日2019-02-20
公開日2019-07-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
6JII
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BU of 6jii by Molmil
Structure of RyR2 (F/A/C/L-Ca2+/apo-CaM-M dataset)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
著者Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
登録日2019-02-21
公開日2019-07-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
6JI0
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BU of 6ji0 by Molmil
Structure of RyR2 (F/A/C/Ca2+ dataset)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
著者Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
登録日2019-02-19
公開日2019-07-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
6JIY
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BU of 6jiy by Molmil
Structure of RyR2 (F/A/C/H-Ca2+/Ca2+CaM dataset)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
著者Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
登録日2019-02-24
公開日2019-07-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
6JRS
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BU of 6jrs by Molmil
Structure of RyR2 (*F/A/C/L-Ca2+/Ca2+-CaM dataset)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
著者Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
登録日2019-04-05
公開日2019-07-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019

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