8ERA
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![BU of 8era by Molmil](/molmil-images/mine/8era) | RMC-5552 in complex with mTORC1 and FKBP12 | Descriptor: | (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1-[6-{[(3M)-4-amino-3-(2-amino-1,3-benzoxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]-3-hydroxypropan-1-one, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | Authors: | Tomlinson, A.C.A, Yano, J.K. | Deposit date: | 2022-10-11 | Release date: | 2022-12-28 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.86 Å) | Cite: | Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors. J.Med.Chem., 66, 2023
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7ZUB
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![BU of 7zub by Molmil](/molmil-images/mine/7zub) | Cryo-EM structure of the indirubin-bound Hsp90-XAP2-AHR complex | Descriptor: | (3~{Z})-3-(3-oxidanylidene-1~{H}-indol-2-ylidene)-1~{H}-indol-2-one, ADENOSINE-5'-DIPHOSPHATE, AH receptor-interacting protein, ... | Authors: | Gruszczyk, J, Savva, C.G, Lai-Kee-Him, J, Bous, J, Ancelin, A, Kwong, H.S, Grandvuillemin, L, Bourguet, W. | Deposit date: | 2022-05-12 | Release date: | 2022-11-23 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.85 Å) | Cite: | Cryo-EM structure of the agonist-bound Hsp90-XAP2-AHR cytosolic complex. Nat Commun, 13, 2022
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7R0L
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![BU of 7r0l by Molmil](/molmil-images/mine/7r0l) | Structure of the FK1 domain of the FKBP51 G64S variant 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, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ... | Authors: | Meyners, C, Hausch, F. | Deposit date: | 2022-02-02 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Binding pocket stabilization by high-throughput screening of yeast display libraries. Front Mol Biosci, 9, 2022
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8BA6
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![BU of 8ba6 by Molmil](/molmil-images/mine/8ba6) | Structure of the FK1 domain of the FKBP51 G64S variant in complex with (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^5,^10]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone | Descriptor: | (2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Hausch, F. | Deposit date: | 2022-10-11 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Binding pocket stabilization by high-throughput screening of yeast display libraries. Front Mol Biosci, 9, 2022
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8BAJ
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![BU of 8baj by Molmil](/molmil-images/mine/8baj) | Structure of the FK1 domain of the FKBP51 G64S variant in complex with (1S,5S,6R)-10-((3,5-dichlorophenyl)sulfonyl)-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one | Descriptor: | (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Hausch, F. | Deposit date: | 2022-10-11 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Binding pocket stabilization by high-throughput screening of yeast display libraries. Front Mol Biosci, 9, 2022
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7ZW0
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![BU of 7zw0 by Molmil](/molmil-images/mine/7zw0) | FAP-80S Complex - Rotated state | Descriptor: | 18S ribosomal RNA (RDN18-1), 25S ribosomal RNA (RDN25-1), 40S ribosomal protein S0-A, ... | Authors: | Ikeuchi, K, Buschauer, R, Berninghausen, O, Becker, T, Beckmann, R. | Deposit date: | 2022-05-17 | Release date: | 2022-10-05 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Sensing of individual stalled 80S ribosomes by Fap1 for nonfunctional rRNA turnover. Mol.Cell, 82, 2022
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7U8D
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![BU of 7u8d by Molmil](/molmil-images/mine/7u8d) | FKBP12 mutant V55G bound to Rapa*-3Z | Descriptor: | (3S,5Z,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5-(ethoxyimino)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP1A | Authors: | Wassarman, D.R, Shokat, K.M. | Deposit date: | 2022-03-08 | Release date: | 2022-09-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Tissue-restricted inhibition of mTOR using chemical genetics. Proc.Natl.Acad.Sci.USA, 119, 2022
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7VMM
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![BU of 7vmm by Molmil](/molmil-images/mine/7vmm) | Structure of recombinant RyR2 (EGTA dataset, class 1, closed state) | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ZINC ION | Authors: | Kobayashi, T, Tsutsumi, A, Kurebayashi, N, Kodama, M, Kikkawa, M, Murayama, T, Ogawa, H. | Deposit date: | 2021-10-09 | Release date: | 2022-08-10 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Molecular basis for gating of cardiac ryanodine receptor explains the mechanisms for gain- and loss-of function mutations. Nat Commun, 13, 2022
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7VMS
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![BU of 7vms by Molmil](/molmil-images/mine/7vms) | Structure of recombinant RyR2 mutant K4593A (Ca2+ dataset) | Descriptor: | CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ... | Authors: | Kobayashi, T, Tsutsumi, A, Kurebayashi, N, Kodama, M, Kikkawa, M, Murayama, T, Ogawa, H. | Deposit date: | 2021-10-09 | Release date: | 2022-08-10 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Molecular basis for gating of cardiac ryanodine receptor explains the mechanisms for gain- and loss-of function mutations Nat Commun, 13, 2022
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7VMR
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![BU of 7vmr by Molmil](/molmil-images/mine/7vmr) | Structure of recombinant RyR2 mutant K4593A (EGTA dataset) | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ZINC ION | Authors: | Kobayashi, T, Tsutsumi, A, Kurebayashi, N, Kodama, M, Kikkawa, M, Murayama, T, Ogawa, H. | Deposit date: | 2021-10-09 | Release date: | 2022-08-10 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Molecular basis for gating of cardiac ryanodine receptor explains the mechanisms for gain- and loss-of function mutations. Nat Commun, 13, 2022
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7VML
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![BU of 7vml by Molmil](/molmil-images/mine/7vml) | Structure of recombinant RyR2 (EGTA dataset, class 1&2, closed state) | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ZINC ION | Authors: | Kobayashi, T, Tsutsumi, A, Kurebayashi, N, Kodama, M, Kikkawa, M, Murayama, T, Ogawa, H. | Deposit date: | 2021-10-09 | Release date: | 2022-08-10 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Molecular basis for gating of cardiac ryanodine receptor explains the mechanisms for gain- and loss-of function mutations. Nat Commun, 13, 2022
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7VMN
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![BU of 7vmn by Molmil](/molmil-images/mine/7vmn) | Structure of recombinant RyR2 (EGTA dataset, class 2, closed state) | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ZINC ION | Authors: | Kobayashi, T, Tsutsumi, A, Kurebayashi, N, Kodama, M, Kikkawa, M, Murayama, T, Ogawa, H. | Deposit date: | 2021-10-09 | Release date: | 2022-08-10 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Molecular basis for gating of cardiac ryanodine receptor explains the mechanisms for gain- and loss-of function mutations. Nat Commun, 13, 2022
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7VMO
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![BU of 7vmo by Molmil](/molmil-images/mine/7vmo) | Structure of recombinant RyR2 (Ca2+ dataset, class 1, open state) | Descriptor: | CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ... | Authors: | Kobayashi, T, Tsutsumi, A, Kurebayashi, N, Kodama, M, Kikkawa, M, Murayama, T, Ogawa, H. | Deposit date: | 2021-10-09 | Release date: | 2022-08-10 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Molecular basis for gating of cardiac ryanodine receptor explains the mechanisms for gain- and loss-of function mutations. Nat Commun, 13, 2022
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7VMP
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![BU of 7vmp by Molmil](/molmil-images/mine/7vmp) | Structure of recombinant RyR2 (Ca2+ dataset, class 2, open state) | Descriptor: | CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ... | Authors: | Kobayashi, T, Tsutsumi, A, Kurebayashi, N, Kodama, M, Kikkawa, M, Murayama, T, Ogawa, H. | Deposit date: | 2021-10-09 | Release date: | 2022-08-10 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Molecular basis for gating of cardiac ryanodine receptor explains the mechanisms for gain- and loss-of function mutations. Nat Commun, 13, 2022
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7VMQ
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![BU of 7vmq by Molmil](/molmil-images/mine/7vmq) | Structure of recombinant RyR2 (Ca2+ dataset, class 3, open state) | Descriptor: | CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ... | Authors: | Kobayashi, T, Tsutsumi, A, Kurebayashi, N, Kodama, M, Kikkawa, M, Murayama, T, Ogawa, H. | Deposit date: | 2021-10-09 | Release date: | 2022-08-10 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Molecular basis for gating of cardiac ryanodine receptor explains the mechanisms for gain- and loss-of function mutations Nat Commun, 13, 2022
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7U0T
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![BU of 7u0t by Molmil](/molmil-images/mine/7u0t) | Crystal Structure of a human Calcineurin A - Calcineurin B fusion bound to FKBP12 and FK-520 | Descriptor: | (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,22R,26aS)-8-ethyl-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-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Fox III, D, Mayclin, S.J, DeBouver, N.D, Hoy, M.J, Heitman, J, Lorimer, D.D, Horanyi, P.S, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2022-02-18 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure-Guided Synthesis of FK506 and FK520 Analogs with Increased Selectivity Exhibit In Vivo Therapeutic Efficacy against Cryptococcus. Mbio, 13, 2022
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7U0U
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![BU of 7u0u by Molmil](/molmil-images/mine/7u0u) | Crystal Structure of a Aspergillus fumigatus Calcineurin A - Calcineurin B fusion bound to FKBP12 and FK-506 | Descriptor: | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, PHOSPHATE ION, ... | Authors: | Fox III, D, Abendroth, J, DeBouver, N.D, Hoy, M.J, Heitman, J, Lorimer, D.D, Horanyi, P.S, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2022-02-18 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Guided Synthesis of FK506 and FK520 Analogs with Increased Selectivity Exhibit In Vivo Therapeutic Efficacy against Cryptococcus. Mbio, 13, 2022
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7U9Q
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![BU of 7u9q by Molmil](/molmil-images/mine/7u9q) | Structure of PKA phosphorylated human RyR2 in the closed state | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ... | Authors: | Miotto, M.C, Marks, A.R. | Deposit date: | 2022-03-11 | Release date: | 2022-08-03 | Method: | ELECTRON MICROSCOPY (3.11 Å) | Cite: | Structural analyses of human ryanodine receptor type 2 channels reveal the mechanisms for sudden cardiac death and treatment. Sci Adv, 8, 2022
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7U9X
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![BU of 7u9x by Molmil](/molmil-images/mine/7u9x) | |
7UA3
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![BU of 7ua3 by Molmil](/molmil-images/mine/7ua3) | |
7UA1
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![BU of 7ua1 by Molmil](/molmil-images/mine/7ua1) | Structure of PKA phosphorylated human RyR2-R2474S in the closed state in the presence of ARM210 | Descriptor: | 4-[(7-methoxy-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)methyl]benzoic acid, ADENOSINE-5'-TRIPHOSPHATE, Peptidyl-prolyl cis-trans isomerase FKBP1B, ... | Authors: | Miotto, M.C, Marks, A.R. | Deposit date: | 2022-03-11 | Release date: | 2022-08-03 | Method: | ELECTRON MICROSCOPY (2.99 Å) | Cite: | Structural analyses of human ryanodine receptor type 2 channels reveal the mechanisms for sudden cardiac death and treatment. Sci Adv, 8, 2022
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7U9T
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![BU of 7u9t by Molmil](/molmil-images/mine/7u9t) | |
7UA9
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![BU of 7ua9 by Molmil](/molmil-images/mine/7ua9) | Structure of dephosphorylated human RyR2 in the open state | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, ... | Authors: | Miotto, M.C, Marks, A.R. | Deposit date: | 2022-03-11 | Release date: | 2022-08-03 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | Structural analyses of human ryanodine receptor type 2 channels reveal the mechanisms for sudden cardiac death and treatment. Sci Adv, 8, 2022
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7UA4
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![BU of 7ua4 by Molmil](/molmil-images/mine/7ua4) | |
7U9R
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![BU of 7u9r by Molmil](/molmil-images/mine/7u9r) | Structure of PKA phosphorylated human RyR2 in the open state | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, ... | Authors: | Miotto, M.C, Marks, A.R. | Deposit date: | 2022-03-11 | Release date: | 2022-08-03 | Method: | ELECTRON MICROSCOPY (3.69 Å) | Cite: | Structural analyses of human ryanodine receptor type 2 channels reveal the mechanisms for sudden cardiac death and treatment. Sci Adv, 8, 2022
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