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6VRX
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BU of 6vrx by Molmil
Mucor circinelloides FKBP12 protein bound with FK506 in P3221 space group
Descriptor: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, Peptidylprolyl isomerase
Authors:Gobeil, S, Spicer, L.
Deposit date:2020-02-10
Release date:2020-12-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Leveraging Fungal and Human Calcineurin-Inhibitor Structures, Biophysical Data, and Dynamics To Design Selective and Nonimmunosuppressive FK506 Analogs.
Mbio, 12, 2021
7CF9
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BU of 7cf9 by Molmil
Structure of RyR1 (Ca2+/CHL)
Descriptor: 5-bromanyl-N-[4-chloranyl-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloranylpyridin-2-yl)pyrazole-3-carboxamide, CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, ...
Authors:Ma, R, Haji-Ghassemi, O, Ma, D, Lin, L, Samurkas, A, Van Petegem, F, Yuchi, Z.
Deposit date:2020-06-24
Release date:2020-09-02
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Structural basis for diamide modulation of ryanodine receptor.
Nat.Chem.Biol., 16, 2020
6M2W
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BU of 6m2w by Molmil
Structure of RyR1 (Ca2+/Caffeine/ATP/CaM1234/CHL)
Descriptor: 5-bromanyl-N-[4-chloranyl-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloranylpyridin-2-yl)pyrazole-3-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, ...
Authors:Ma, R, Haji-Ghassemi, O, Ma, D, Lin, L, Samurkas, A, Van Petegem, F, Yuchi, Z.
Deposit date:2020-03-01
Release date:2020-09-02
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis for diamide modulation of ryanodine receptor.
Nat.Chem.Biol., 16, 2020
6M4V
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BU of 6m4v by Molmil
Crystal structure of MBP fused split FKBP in complex with rapamycin
Descriptor: GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP1A, RAPAMYCIN IMMUNOSUPPRESSANT DRUG, ...
Authors:Kikuchi, M, Wu, D, Inoue, T, Umehara, T.
Deposit date:2020-03-09
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Rational design and implementation of a chemically inducible heterotrimerization system.
Nat.Methods, 17, 2020
6M4U
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BU of 6m4u by Molmil
Crystal structure of FKBP-FRB T2098L mutant in complex with rapamycin
Descriptor: CHLORIDE ION, GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP1A, ...
Authors:Kikuchi, M, Wu, D, Inoue, T, Umehara, T.
Deposit date:2020-03-09
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Rational design and implementation of a chemically inducible heterotrimerization system.
Nat.Methods, 17, 2020
6M4W
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BU of 6m4w by Molmil
Crystal structure of MBP fused split FKBP-FRB T2098L mutant in complex with rapamycin
Descriptor: GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP1A, RAPAMYCIN IMMUNOSUPPRESSANT DRUG, ...
Authors:Kikuchi, M, Wu, D, Inoue, T, Umehara, T.
Deposit date:2020-03-09
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Rational design and implementation of a chemically inducible heterotrimerization system.
Nat.Methods, 17, 2020
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
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
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
6PV6
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BU of 6pv6 by Molmil
Functional Pathways of Biomolecules Retrieved from Single-particle Snapshots
Descriptor: CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ...
Authors:Dashti, A, des Georges, A, Frank, J, Ourmazd, A.
Deposit date:2019-07-19
Release date:2020-08-12
Last modified:2024-03-20
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
6WOT
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BU of 6wot by Molmil
Cryo-EM structure of recombinant rabbit Ryanodine Receptor type 1 mutant R164C in complex with FKBP12.6
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ZINC ION
Authors:Iyer, K.A, Hu, Y, Kurebayashi, N, Murayama, T, Samso, M.
Deposit date:2020-04-25
Release date:2020-08-05
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Structural mechanism of two gain-of-function cardiac and skeletal RyR mutations at an equivalent site by cryo-EM.
Sci Adv, 6, 2020
6WOU
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BU of 6wou by Molmil
Cryo-EM structure of recombinant mouse Ryanodine Receptor type 2 mutant R176Q in complex with FKBP12.6 in nanodisc
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ZINC ION
Authors:Iyer, K.A, Hu, Y, Kurebayashi, N, Murayama, T, Samso, M.
Deposit date:2020-04-25
Release date:2020-08-05
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Structural mechanism of two gain-of-function cardiac and skeletal RyR mutations at an equivalent site by cryo-EM.
Sci Adv, 6, 2020
6WOV
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BU of 6wov by Molmil
Cryo-EM structure of recombinant mouse Ryanodine Receptor type 2 wild type in complex with FKBP12.6
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ZINC ION
Authors:Iyer, K.A, Hu, Y, Nayak, A.R, Kurebayashi, N, Murayama, T, Samso, M.
Deposit date:2020-04-25
Release date:2020-08-05
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (5.1 Å)
Cite:Structural mechanism of two gain-of-function cardiac and skeletal RyR mutations at an equivalent site by cryo-EM.
Sci Adv, 6, 2020
6TX4
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BU of 6tx4 by Molmil
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 2-PYRIDONE
Descriptor: 1~{H}-pyridin-2-one, CHLORIDE ION, 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 (1.06 Å)
Cite:Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
6TX9
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BU of 6tx9 by Molmil
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH HYDANTOIN
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5, SODIUM ION, imidazolidine-2,4-dione
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 (1.42 Å)
Cite:Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
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
6RCY
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BU of 6rcy by Molmil
CRYSTAL STRUCTURE OF FK1 DOMAIN OF FKBP52 IN COMPLEX WITH A BIO-INSPIRED HYBRID FLUORESCENT LIGAND
Descriptor: (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
Authors:Li de la Sierra-Gallay, I, Byrne, C.
Deposit date:2019-04-12
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Bioinspired Hybrid Fluorescent Ligands for the FK1 Domain of FKBP52.
J.Med.Chem., 63, 2020
6OQA
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BU of 6oqa by Molmil
Crystal structure of CEP250 bound to FKBP12 in the presence of FK506-like novel natural product
Descriptor: (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, ...
Authors:Lee, S.-J, Shigdel, U.K, Townson, S.A, Verdine, G.L.
Deposit date:2019-04-26
Release date:2020-04-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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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BU of 6vsi by Molmil
Crystal structure of FKBP12 of Candida auris
Descriptor: Peptidylprolyl isomerase, SULFATE ION
Authors:Li, Z, Li, H, Hernandez, G, LeMaster, D.
Deposit date:2020-02-11
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal structure and transient dimerization for the FKBP12 protein from the pathogenic fungus Candida auris.
Biochem.Biophys.Res.Commun., 525, 2020

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