8CCC
 
 | | The Fk1 domain of FKBP51 in complex with 2-(3-((R)-1-(((S)-1-((S)-2-(5-chlorothiophen-2-yl)propanoyl)piperidine-2-carbonyl)oxy)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid | | 分子名称: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)propanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | | 著者 | Meyners, C, Knaup, F.H, Walz, C.M, Hausch, F. | | 登録日 | 2023-01-27 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51.
J.Med.Chem., 66, 2023
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8CCH
 | | The Fk1 domain of FKBP51 in complex with 2-(3-((1R)-1-(((2S)-1-(2-cyclohexyl-2-(thiophen-2-yl)acetyl)piperidine-2-carbonyl)oxy)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid | | 分子名称: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-thiophen-2-yl-ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | | 著者 | Meyners, C, Knaup, F.H, Walz, C.M, Hausch, F. | | 登録日 | 2023-01-27 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51.
J.Med.Chem., 66, 2023
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8CCE
 | | The Fk1 domain of FKBP51 in complex with 2-(3-((R)-1-(((S)-1-((S)-2-(5-chlorothiophen-2-yl)butanoyl)piperidine-2-carbonyl)oxy)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid | | 分子名称: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)butanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP5 | | 著者 | Meyners, C, Knaup, F.H, Walz, C.M, Hausch, F. | | 登録日 | 2023-01-27 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51.
J.Med.Chem., 66, 2023
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8CCD
 | | The Fk1 domain of FKBP51 in complex with 2-(3-((R)-1-(((S)-1-((S)-2-(5-chlorothiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)acetyl)piperidine-2-carbonyl)oxy)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid | | 分子名称: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | | 著者 | Meyners, C, Knaup, F.H, Walz, C.M, Hausch, F. | | 登録日 | 2023-01-27 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51.
J.Med.Chem., 66, 2023
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8EOA
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8H77
 | | Hsp90-AhR-p23-XAP2 complex | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, AH receptor-interacting protein, Aryl hydrocarbon receptor, ... | | 著者 | Wen, Z.L, Zhai, Y.J, Zhu, Y, Sun, F. | | 登録日 | 2022-10-19 | | 公開日 | 2023-01-04 | | 最終更新日 | 2023-03-22 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Cryo-EM structure of the cytosolic AhR complex.
Structure, 31, 2023
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8ERA
 | | RMC-5552 in complex with mTORC1 and FKBP12 | | 分子名称: | (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, ... | | 著者 | Tomlinson, A.C.A, Yano, J.K. | | 登録日 | 2022-10-11 | | 公開日 | 2022-12-28 | | 最終更新日 | 2023-01-25 | | 実験手法 | ELECTRON MICROSCOPY (2.86 Å) | | 主引用文献 | 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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8ER6
 | | FKBP12-FRB in Complex with Compound 11 | | 分子名称: | (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, 1,2-ETHANEDIOL, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | | 著者 | Tomlinson, A.C.A, Yano, J.K. | | 登録日 | 2022-10-11 | | 公開日 | 2022-12-28 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | 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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8ER7
 | | FKBP12-FRB in Complex with Compound 12 | | 分子名称: | (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-5,10,21-trimethoxy-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, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | | 著者 | Tomlinson, A.C.A, Yano, J.K. | | 登録日 | 2022-10-11 | | 公開日 | 2022-12-28 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (3.07 Å) | | 主引用文献 | 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
 | | Cryo-EM structure of the indirubin-bound Hsp90-XAP2-AHR complex | | 分子名称: | (3~{Z})-3-(3-oxidanylidene-1~{H}-indol-2-ylidene)-1~{H}-indol-2-one, ADENOSINE-5'-DIPHOSPHATE, AH receptor-interacting protein, ... | | 著者 | Gruszczyk, J, Savva, C.G, Lai-Kee-Him, J, Bous, J, Ancelin, A, Kwong, H.S, Grandvuillemin, L, Bourguet, W. | | 登録日 | 2022-05-12 | | 公開日 | 2022-11-23 | | 最終更新日 | 2022-12-07 | | 実験手法 | ELECTRON MICROSCOPY (2.85 Å) | | 主引用文献 | Cryo-EM structure of the agonist-bound Hsp90-XAP2-AHR cytosolic complex.
Nat Commun, 13, 2022
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7R0L
 | | Structure of the FK1 domain of the FKBP51 G64S variant in complex with SAFit1 | | 分子名称: | 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, ... | | 著者 | Meyners, C, Hausch, F. | | 登録日 | 2022-02-02 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Binding pocket stabilization by high-throughput screening of yeast display libraries.
Front Mol Biosci, 9, 2022
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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 | | 分子名称: | (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 | | 著者 | Meyners, C, Hausch, F. | | 登録日 | 2022-10-11 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Binding pocket stabilization by high-throughput screening of yeast display libraries.
Front Mol Biosci, 9, 2022
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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 | | 分子名称: | (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 | | 著者 | Meyners, C, Hausch, F. | | 登録日 | 2022-10-11 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Binding pocket stabilization by high-throughput screening of yeast display libraries.
Front Mol Biosci, 9, 2022
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7ZW0
 | | FAP-80S Complex - Rotated state | | 分子名称: | 18S ribosomal RNA (RDN18-1), 25S ribosomal RNA (RDN25-1), 40S ribosomal protein S0-A, ... | | 著者 | Ikeuchi, K, Buschauer, R, Berninghausen, O, Becker, T, Beckmann, R. | | 登録日 | 2022-05-17 | | 公開日 | 2022-10-05 | | 実験手法 | ELECTRON MICROSCOPY (2.4 Å) | | 主引用文献 | Sensing of individual stalled 80S ribosomes by Fap1 for nonfunctional rRNA turnover.
Mol.Cell, 82, 2022
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7U8D
 | | FKBP12 mutant V55G bound to Rapa*-3Z | | 分子名称: | (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 | | 著者 | Wassarman, D.R, Shokat, K.M. | | 登録日 | 2022-03-08 | | 公開日 | 2022-09-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Tissue-restricted inhibition of mTOR using chemical genetics.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7VMS
 | | Structure of recombinant RyR2 mutant K4593A (Ca2+ dataset) | | 分子名称: | CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ... | | 著者 | Kobayashi, T, Tsutsumi, A, Kurebayashi, N, Kodama, M, Kikkawa, M, Murayama, T, Ogawa, H. | | 登録日 | 2021-10-09 | | 公開日 | 2022-08-10 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | 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
 | | Structure of recombinant RyR2 (EGTA dataset, class 1&2, closed state) | | 分子名称: | Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ZINC ION | | 著者 | Kobayashi, T, Tsutsumi, A, Kurebayashi, N, Kodama, M, Kikkawa, M, Murayama, T, Ogawa, H. | | 登録日 | 2021-10-09 | | 公開日 | 2022-08-10 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | 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
 | | Structure of recombinant RyR2 (Ca2+ dataset, class 1, open state) | | 分子名称: | CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ... | | 著者 | Kobayashi, T, Tsutsumi, A, Kurebayashi, N, Kodama, M, Kikkawa, M, Murayama, T, Ogawa, H. | | 登録日 | 2021-10-09 | | 公開日 | 2022-08-10 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | 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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7VMM
 | | Structure of recombinant RyR2 (EGTA dataset, class 1, closed state) | | 分子名称: | Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ZINC ION | | 著者 | Kobayashi, T, Tsutsumi, A, Kurebayashi, N, Kodama, M, Kikkawa, M, Murayama, T, Ogawa, H. | | 登録日 | 2021-10-09 | | 公開日 | 2022-08-10 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | 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
 | | Structure of recombinant RyR2 (EGTA dataset, class 2, closed state) | | 分子名称: | Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ZINC ION | | 著者 | Kobayashi, T, Tsutsumi, A, Kurebayashi, N, Kodama, M, Kikkawa, M, Murayama, T, Ogawa, H. | | 登録日 | 2021-10-09 | | 公開日 | 2022-08-10 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | 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
 | | Structure of recombinant RyR2 (Ca2+ dataset, class 3, open state) | | 分子名称: | CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ... | | 著者 | Kobayashi, T, Tsutsumi, A, Kurebayashi, N, Kodama, M, Kikkawa, M, Murayama, T, Ogawa, H. | | 登録日 | 2021-10-09 | | 公開日 | 2022-08-10 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | 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
 | | Structure of recombinant RyR2 mutant K4593A (EGTA dataset) | | 分子名称: | Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ZINC ION | | 著者 | Kobayashi, T, Tsutsumi, A, Kurebayashi, N, Kodama, M, Kikkawa, M, Murayama, T, Ogawa, H. | | 登録日 | 2021-10-09 | | 公開日 | 2022-08-10 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | 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
 | | Structure of recombinant RyR2 (Ca2+ dataset, class 2, open state) | | 分子名称: | CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ... | | 著者 | Kobayashi, T, Tsutsumi, A, Kurebayashi, N, Kodama, M, Kikkawa, M, Murayama, T, Ogawa, H. | | 登録日 | 2021-10-09 | | 公開日 | 2022-08-10 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | 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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7U9T
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7UA9
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