6YF2
 
 | | FKBP12 in complex with the BMP potentiator compound 6 at 1.03A resolution | | Descriptor: | (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-23,25-dimethoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14-bis(oxidanyl)-17-(2-oxidanylidenepropyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Kallen, J. | | Deposit date: | 2020-03-25 | | Release date: | 2021-03-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury.
Cell Chem Biol, 28, 2021
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6YF1
 | | FKBP12 in complex with the BMP potentiator compound 8 at 1.12A resolution | | Descriptor: | (1aR,3R,5S,6R,7S,9R,10R,17aS,20S,21R,22S,25R,25aR)-25-Ethyl-10,22-dihydroxy-20-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-5,7-dimethoxy-1a,3,9,21-tetramethyloctadecahydro-2H-6,10-epoxyoxireno[p]pyrido[2,1-c][1,4]oxazacyclotricosine-11,12,18,24(1aH,14H)-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP1A | | Authors: | Kallen, J. | | Deposit date: | 2020-03-25 | | Release date: | 2021-03-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury.
Cell Chem Biol, 28, 2021
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6YF0
 | | FKBP12 in complex with the BMP potentiator compound 9 at 1.55 A resolution | | Descriptor: | 18-HYDROXYASCOMYCIN, Peptidyl-prolyl cis-trans isomerase FKBP1A, SULFATE ION | | Authors: | Kallen, J. | | Deposit date: | 2020-03-25 | | Release date: | 2021-03-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury.
Cell Chem Biol, 28, 2021
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6X36
 | | Pig R615C RyR1 in complex with CaM, EGTA (class 3, closed) | | Descriptor: | Calmodulin-1, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine Receptor | | Authors: | Woll, K.W, Haji-Ghassemi, O, Van Petegem, F. | | Deposit date: | 2020-05-21 | | Release date: | 2021-01-13 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Pathological conformations of disease mutant Ryanodine Receptors revealed by cryo-EM.
Nat Commun, 12, 2021
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6X35
 | | Pig R615C RyR1 in complex with CaM, EGTA (class 1, open) | | Descriptor: | Calmodulin-1, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine Receptor, ... | | Authors: | Woll, K.W, Haji-Ghassemi, O, Van Petegem, F. | | Deposit date: | 2020-05-21 | | Release date: | 2021-01-13 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Pathological conformations of disease mutant Ryanodine Receptors revealed by cryo-EM.
Nat Commun, 12, 2021
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6X34
 | | Pig R615C RyR1 EGTA (all classes, open) | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine Receptor, ZINC ION | | Authors: | Woll, K.W, Haji-Ghassemi, O, Van Petegem, F. | | Deposit date: | 2020-05-21 | | Release date: | 2021-01-13 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Pathological conformations of disease mutant Ryanodine Receptors revealed by cryo-EM.
Nat Commun, 12, 2021
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6X33
 | | Wt pig RyR1 in complex with apoCaM, EGTA condition (class 3, open) | | Descriptor: | Calmodulin-1, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine Receptor, ... | | Authors: | Woll, K.W, Haji-Ghassemi, O, Van Petegem, F. | | Deposit date: | 2020-05-21 | | Release date: | 2021-01-13 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Pathological conformations of disease mutant Ryanodine Receptors revealed by cryo-EM.
Nat Commun, 12, 2021
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6X32
 | | Wt pig RyR1 in complex with apoCaM, EGTA condition (class 1 and 2, closed) | | Descriptor: | Calmodulin-1, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine Receptor, ... | | Authors: | Woll, K.W, Haji-Ghassemi, O, Van Petegem, F. | | Deposit date: | 2020-05-21 | | Release date: | 2021-01-13 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Pathological conformations of disease mutant Ryanodine Receptors revealed by cryo-EM.
Nat Commun, 12, 2021
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6WOV
 | | 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: | 2022-08-03 | | 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
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6WOU
 | | 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: | 2022-08-03 | | 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
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6WOT
 | | 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: | 2022-08-03 | | 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
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6W1N
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6VSI
 | | 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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6VRX
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6VCV
 | | 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
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6VCU
 | | 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
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6VCT
 | | 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
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6TZ8
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6TZ7
 | | Crystal Structure of Aspergillus fumigatus Calcineurin A, Calcineurin B, FKBP12 and FK506 (Tacrolimus) | | Descriptor: | 1,2-ETHANEDIOL, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, ... | | Authors: | Fox III, D, Horanyi, P.S. | | Deposit date: | 2019-08-10 | | Release date: | 2019-09-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents.
Nat Commun, 10, 2019
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6TZ6
 | | Crystal Structure of Candida Albicans Calcineurin A, Calcineurin B, FKBP12 and FK506 (Tacrolimus) | | Descriptor: | 1,2-ETHANEDIOL, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, ... | | Authors: | Fox III, D, Lukacs, C.M. | | Deposit date: | 2019-08-10 | | Release date: | 2019-09-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents.
Nat Commun, 10, 2019
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6TXX
 | | 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
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6TX9
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6TX8
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6TX7
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6TX6
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